Enzymatic & related effects:
Acetylcholine receptor affinity, pKi [M]
Adrenoreceptor (alpha1) antagonist activity, EC50 [microM]
Adrenoreceptor (beta3) agonist activity, EC50 [microM]
Analgesic activity, log(1/mmol/kg)
Anti-malarial activity, (Plasmodium falciparum), log(IC50)
Anti-Mycobacterium av. activity, [mg/L]
Arylalkylamine N-acetyltransferase (AANAT) inhibition, pIC50
Barley protoporphyrinogen oxidase inhibition, log(1/IC50) [milliM]
Caco-2 cell permeability, -logP(app)
Cannabinoid receptor CB1 inhibition, log(EC50)
Carbonic anhydrase (IX) inhibition [nM]
Corazol antagonist activity, log(1/ED50)
Cyclooxygenase-2 (COX-2) inhibition, log(1/IC50)
Cytochrome P450-2B6 inhibition, Km [microM]
Diazepam binding inhibition, IC50 [nanoM]
Dihydrofolate reductase inhibition, log(1/IC50)
7,8-Dihydroneopterin aldolase inhibition, IC50 [microM]
Dopamine beta-hydroxylase inhibitory activity, log(1/IC50)
Endothelin antagonist activity, IC50 [nanoM]
Endothelin A receptor binding affinity, log(IC50) [M]
Epidermal growth factor receptor (EGFR) protein kinase inhibition, log(1/C) [M]
Herpes simplex virus-1 (HSV-1) TH inhibition, IC50 [microM]
Human ether-a-go-go (hERG K+) blocking activity, pIC50 [M]
beta-Lactoglobulin binding constant (Kb), [logKb]
Lipase inhibition (Pseudomonas sp.), [microM]
Lipoxygenase inhibition, log(1/IC50)
Muscarinic receptor (m1) binding affinity, log(1/Ki)
Octopaminergic activity, pKi
Odor threshold [mg/L]
P-glycoprotein multidrug resistance modulation, K [microM]
Phosphodiesterase IV inhibition, [nanoM]
Phosphodiesterase III inhibition, [microM]
Platelet aggregration inhibition (rabbit plasma), log(1/IC50)
Prolyl endopeptidase inhibition, log(1/IC50), [M](
Protein tyrosine p56lck kinase inhibition, log(1/IC50)
Protox assay, IC50, [microM]
Pyruvate dehydrogenase kinase inhibition, IC50 [microM]
Relative sweetness, log(RSI)
Retinoid receptor binding, Kd-alpha, [nanoM]
Tetracycline efflux antiport protein inhibition, log(1/C) [microM],
Thymidine phosphorylation (TK-2) inhibition, IC50 [microM]
Tumor growth inhibition, log(% tumor weight inhib.)
Porphyromona gingivalis, Minimum Inhibitory Concentration [mM]
Selenomonas artemidis, Minimum Inhibitory Concentration [mM]
Sinorhizobium meliloti, EC50 [mM]
Streptococcus pneum. MuD enzyme transition state inhibition, log(1/IC50)
Streptococcus sobrinus, Minimum Inhibitory Concentration [mM]
Aquatic species effects, fish:
BGILL-48 mg/L, 48-hr LC50 (mg/L) for the Bluegill sunfish Lepomis macrochirus
BGILL-48 pT, 48-hr LC50 (pT) for the Bluegill sunfish Lepomis macrochirus
BGILL-96 mg/L, 96-hr LC50 (mg/L) for the Bluegill sunfish Lepomis macrochirus
BGILL-96 pT, 96-hr LC50 (pT) for the Bluegill sunfish Lepomis macrochirus
BLEAK-96 mg/L, 96-hr LC50 (mg/L) for the Bleak Alburnus alburnus Linn.
BLEAK-96 pT, 96-hr LC50 (pT) for the Bleak Alburnus alburnus Linn.
BRT-24 mg/L, 24-hr LC50 (mg/L) for the Brown trout Salmo trutta
BRT-24 pT, 24-hr LC50 (pT) for the Brown trout Salmo trutta
BRT-48 mg/L, 48-hr LC50 (mg/L) for the Brown trout Salmo trutta
BRT-48 pT, 48-hr LC50 (pT) for the Brown trout Salmo trutta
BRT-96 mg/L, 96-hr LC50 (mg/L) for the Brown trout Salmo trutta
BRT-96 pT, 96-hr LC50 (pT) for the Brown trout Salmo trutta
CATF-96 mg/L, 96-hr LC50 (mg/L) for the Channel catfish Ictalurus punctatus
CATF-96 pT, 96-hr LC50 (pT) for the Channel catfish Ictalurus punctatus
FHM-96 mg/L, 96-hr LC50 (mg/L) for the Fathead minnow Pimephales promelas
FHM-96 pT-m, measured 96-hr LC50 (pT) for the Fathead minnow Pimephales promelas
FHM-32d mg/L, 32-d LC50 (mg/L) for the Fathead minnow Pimephales promelas
FHM-32d pT, 96-d LC50 (pT) for the Fathead minnow Pimephales promelas
FLAGF-96 mg/L, 96-hr LC50 (mg/L) for the American flagfish Jordanella floridae
FLAGF-96 pT, 96-hr LC50 (pT) for the American flagfish Jordanella floridae
GFS-24 cell mg/L, 24-hr LC50 (mg/L) for goldfish Carassius auratus scale cells, neutral red assay, 25 °C
GFS-24 cell pT, 24-hr LC50 (pT) for goldfish (Carassius auratus) scale cells, neutral red assay, 25 °C
GOLDF-24 mg/L, 24-hr LC50 (mg/L) for the Goldfish Carassius auratus.
GOLDF-24 pT, 24-hr LC50 (pT) for the Goldfish Carassius auratus
GOLDF-48 mg/L, 48-hr LC50 (mg/L) for the Goldfish Carassius auratus
GOLDF-48 pT, 48-hr LC50 (pT) for the Goldfish Carassius auratus
GOLDF-96 mg/L, 96-hr LC50 (mg/L) for the Goldfish Carassius auratus
GOLDF-96 pT, 96-hr LC50 (pT) for the Goldfish Carassius auratus
GORFE-48 mg/L, 48-hr LC50 (mg/L) for the Goldorfe Leuciscus idus melanotus
GORFE-48 pT, 48-hr LC50 (pT) for the Goldorfe Leuciscus idus melanotus
GUPPY-24 mg/L, 24-hr LC50 (mg/L) for the Guppy Poecilia reticulata
GUPPY-24 pT, 24-hr LC50 (pT) for the Guppy Poecilia reticulata
GUPPY-48 mg/L, 48-hr LC50 (mg/L) for the Guppy Poecilia reticulata
GUPPY-48 pT, 48-hr LC50 (pT) for the Guppy Poecilia reticulata
GUPPY-96 mg/L, 96-hr LC50 (mg/L) for the Guppy Poecilia reticulata
GUPPY-96 pT, 96-hr LC50 (pT) for the Guppy Poecilia reticulata
GUPPY-14d mg/L, 14-d LC50 (mg/L) for the Guppy Poecilia reticulata
GUPPY-14d pT, 14-d LC50 (pT) for the Guppy Poecilia reticulata
MOSQF-48 mg/L, 48-hr LC50 (mg/L) for the Mosquitofish Gambusia affinis
MOSQF-48 pT, 48-hr LC50 (pT) for the Mosquitofish Gambusia affinis
MOSQF-96 mg/L, 96-hr LC50 (mg/L) for the Mosquitofish Gambusia affinis
MOSQF-96 pT, 96-hr LC50 (pT) for the Mosquitofish Gambusia affinis
NLET-48 mg/L, 48-hr LC50 (mg/L) for the Nile tilapia Tilapia nilotica
NLET-48 pT, 48-hr LC50 (pT) for the Nile tilapia Tilapia nilotica
RBT-24 mg/L, 24-hr LC50 (mg/L) for the Rainbow trout Oncorhyncus mykiss (formerly Salmo gairdneri)
RBT-24 pT, 24-hr LC50 (pT) for the Rainbow trout Oncorhyncus mykiss (formerly Salmo gairdneri)
RBT-48 mg/L, 48-hr LC50 (mg/L) for the Rainbow trout Oncorhyncus mykiss (formerly Salmo gairdneri)
RBT-48 pT, 48-hr LC50 (pT) for the Rainbow trout Oncorhyncus mykiss (formerly Salmo gairdneri)
RBT-96 mg/L, 96-hr LC50 (mg/L) for the Rainbow trout Oncorhyncus mykiss (formerly Salmo gairdneri)
RBT-96 pT, 96-hr LC50 (pT) for the Rainbow trout Oncorhyncus mykiss (formerly Salmo gairdneri)
RKF-24 mg/L, 96-hr LC50 (mg/L) for the Red killifish Oryzias latipes
RKF-24 pT, 96-hr LC50 (pT) for the Red killifish Oryzias latipes
RKF-48 mg/L, 96-hr LC50 (mg/L) for the Red killifish Oryzias latipes
RKF-48 pT, 96-hr LC50 (pT) for the Red killifish Oryzias latipes
RKF-96 mg/L, 96-hr LC50 (mg/L) for the Red killifish Oryzias latipes
RKF-96 pT, 96-hr LC50 (pT) for the Red killifish Oryzias latipes
SALMS-96 mg/L, 96-hr LC50 (mg/L) for the Atlantic salmon Salmon salar
SALMS-96 pT, 96-hr LC50 (pT) for the Atlantic salmon Salmon salar
SHM-48 mg/L, 96-hr LC50 (mg/L) for the Sheepshead minnow Cyprinodon variegatus
SHM-48 pT, 96-hr LC50 (pT) for the Sheepshead minnow Cyprinodon variegatus
SHM-96 mg/L, 96-hr LC50 (mg/L) for the Sheepshead minnow Cyprinodon variegatus
SHM-96 pT, 96-hr LC50 (pT) for the Sheepshead minnow Cyprinodon variegatus
WSUCK-96 mg/L, 96-hr LC50 (mg/L) for the White sucker Catostomus commersoni
WSUCK-96 pT, 96-hr LC50 (pT ) for the White sucker Catostomus commersoni
ZEBF-24 mg/L, 24-hr LC50 (mg/L) for the Zebrafish Brachydanio rerio
ZEBF-96 mg/L, 96-hr LC50 (mg/L) for the Zebrafish Brachydanio rerio
ZEBF-24 pT, 24-hr LC50 (pT) for the Zebrafish Brachydanio rerio
ZEBF-96 pT, 96-hr LC50 (pT) for the Zebrafish Brachydanio rerio
Aquatic species effects, bacteria:
Mtox-5 mg/L, 5-min EC50 (mg/L) for Vibrio fischeri (formerly Photobacterium phosphoreum)
Mtox-15 mg/L, 15-min EC50 (mg/L) for Vibrio fischeri (formerly Photobacterium phosphoreum)
Mtox-30 mg/L, 30-min EC50 (mg/L) for Vibrio fischeri (formerly Photobacterium phosphoreum)
MTOX-5 pT, 5-min EC50 (pT) for Vibrio fischeri (formerly Photobacterium phosphoreum)
MTOX-15 pT, 15-min EC50 (pT) for Vibrio fischeri (formerly Photobacterium phosphoreum)
MTOX-30 pT, 30-min EC50 (pT) for Vibrio fischeri (formerly Photobacterium phosphoreum)
MTOX pT, 5-min, 15-min, or 30-min EC50 (pT) for Vibrio fischeri (formerly Photobacterium phosphoreum)
Purity, the stated purity of the compound tested in the Vibrio fischeri (formerly Photobacterium phosphoreum) bioassay
PSEU-18 mg/L, 96-hr LC50 (mg/L) for the bacterium Pseudomonas fluorescens
PSEU-18 pT, 96-hr LC50 (pT) for the bacterium Pseudomonas fluorescens
SPIRv-2 mg/L, 2-hr LC50 (mg/L) for the bacterium Spirillum volutans
SPIRv-2 pT, 2-hr LC50 (pT ) for the bacterium Spirillum volutans
Aquatic species effects, crustaceans:
ARTEM-24 mg/L, 24-hr LC50 (mg/L) for the shrimp Artemia salina
ARTEM-24 pT , 24-hr LC50 (pT) for the shrimp Artemia salina
CEROD-48 mg/L, 48-hr LC50 (mg/L) for Cerodaphnia dubia
CEROD-48 pT, 48-hr LC50 (pT) for Cerodaphnia dubia
DM-24 mg/L, 24-hr LC50 (mg/L) for Daphnia magna
DM-24 pT, 24-hr LC50 (pT) for Daphnia magna
DM-48 mg/L, 48-hr LC50 (mg/L) for Daphnia magna
DM-48 pT, 48-hr LC50 (pT) for Daphnia magna
DM-21d mg/L, 21-d LC50 (mg/L) for Daphnia magna
DM-21d pT, 21-d LC50 (pT) for Daphnia magna
CRANG-96 mg/L, 96-hr LC50 (mg/L) for the shrimp species: Crangon septemspinosa, C. crangon, C. franciscorum and C. nigricauda
CRANG-96 pT, 96-hr LC50 (pT) for the shrimp species: Crangon septemspinosa, C. crangon, C. fanciscorum and C. nigricauda
CRAYF-24 mg/L, 96-hr LC50 (mg/L) for the crayfish Orconectes immunis
CRAYF-24 pT, 96-hr LC50 (pT) for the crayfish Orconectes immunis
CRAYF-48 mg/L, 96-hr LC50 (mg/L) for the crayfish Orconectes immunis
CRAYF-48 pT, 96-hr LC50 (pT) for the crayfish Orconectes immunis
CRAYF-96 mg/L, 96-hr LC50 (mg/L) for the crayfish Orconectes immunis
CRAYF-96 pT, 96-hr LC50 (pT) for the crayfish Orconectes immunis
MYSID-96 mg/L, 96-hr LC50 (mg/L) for Americamysis bahia (formerly Mysidopsis bahia)
MYSID-96 pT, 96-hr LC50 (pT) for Americamysis bahia (formerly Mysidopsis bahia)
NICRA-96 mg/L, 96-hr LC50 (mg/L) for the copepod Nitrocra spinipes
NICRA-96 pT, 96-hr LC50 (pT) for the copepod Nitrocra spinipes
PALAE-96 mg/L, 96-hr LC50 (mg/L) for the shrimp Palaemonetes kadiakensis and P. pugio
PALAE-96 pT, 96-hr LC50 (pT) for the shrimp Palaemonetes kadiakensis and P. pugio
PENAE-96 mg/L, 96-hr LC50 (mg/L) for the shrimp Penaeus aztecus and P. duorarum
PENAE-96 pT, 96-hr LC50 (pT) for the shrimp Penaeus aztecus and Penaeus duorarum
Shrimp mg/L, 96-hr LC50 (mg/L) for the most sensitive of the shrimp species tested
Shrimp pT, 96-hr LC50 (pT) for the most sensitive shrimp species tested
Aquatic species effects, amphibians:
RANAc-96 mg/L, 96-hr LC50 (mg/L) for the tadpole Rana catesbiana
RANAc-96 pT, 96-hr LC50 (pT) for the tadpole Rana catesbiana.
RANAt-X mg/L, 96-hr LC50 (mg/L) for the tadpole Rana temporaria
RANAt-X pT, 96-hr LC50 (pT) for the tadpole Rana temporaria
XENOP-48 mg/L, 48-hr LC50 (mg/L) for the South African clawed frog Xenopus laevis
XENOP-96 mg/L, 96-hr LC50 (mg/L) for the South African clawed frog Xenopus laevis
XENOP-96 pT, 96-hr LC50 (pT) for the South African clawed frog Xenopus laevis
Aquatic species effects, algae:
CHLAMa-3 mg/L, 3-hr LC50 (mg/L) for the green algae Chlamydomonas angulosa
CHLAMa-3 pT, 3-hr LC50 (pT) for the green algae Chlamydomonas angulosa
CHLORf-24 mg/L, 24-hr LC50 (mg/L) for the green algae Chlorella fusca
CHLORf-24 pT, 24-hr LC50 (pT) for the green algae Chlorella fusca
CHLORp-96 mg/L, 96-hr LC50 (mg/L) for the green algae Chlorella pyrenoidosa
CHLORp-96 pT, 96-hr LC50 (pT) for the green algae Chlorella pyrenoidosa
CHLORv-3 mg/L, 3-hr LC50 (mg/L) for the green algae Chlorella vulgaris
CHLORv-3 pT, 3-hr LC50 (pT) for the green algae Chlorella vulgaris
CHLORv-6 mg/L, 6-hr LC50 (mg/L) for the green algae Chlorella vulgaris
CHLORv-6 pT, 6-hr LC50 (pT) for the green algae Chlorella vulgaris
CHLORv-96 mg/L, 96-hr LC50 (mg/L) for the green algae Chlorella vulgaris
CHLORv-96 pT, 96-hr LC50 (pT) for the green algae Chlorella vulgaris.
SCENob-96 mg/L, 96-hr LC50 (mg/L) for the green algae Scenedesmus obliquus
SCENob-96 pT, 96-hr LC50 (pT) for the green algae Scenedesmus obliquus
SCENqu-24 mg/L, 96-hr LC50 (mg/L) for the green algae Scenedesmus quadricauda
SCENqu-24 pT, 96-hr LC50 (pT) for the green algae Scenedesmus quadricauda
SCENsu-72 mg/L, 96-hr LC50 (mg/L) for the green algae Scenedesmus subspicatus
SCENsu-72 pT, 96-hr LC50 (pT) for the green algae Scenedesmus subspicatus
SELEc-96 mg/L, 96-hr LC50 (mg/L) for the green algae Pseudokirchneriella subcapitata (formerly Selenastrum capricornutum)
SELEc-96 pT, 96-hr LC50 (pT) for the green algae Pseudokirchneriella subcapitata (formerly Selenastrum capricornutum)
Aquatic species effects, ciliates & mussels:
MYTIL-96 pT, 96-hr LC50 (pT) for the common mussel Mytilus edulis
OYST mg/L, 96-hr LC50 (mg/L) for the American oyster Crassostrea virginica
OYST pT, 96-hr LC50 (pT) for the American oyster Crassostrea virginica
TEHY-24 mg/L, 24-hr LC50 (mg/L) for the ciliate Tetrahymena pyriformis
TEHY-24 pT, 24-hr LC50 (pT ) for the ciliate Tetrahymena pyriformis
TEHY-48 mg/L, 48-hr LC50 (mg/L) for the ciliate Tetrahymena pyriformis
TEHY-48 pT, 48-hr LC50 (pT ) for the ciliate Tetrahymena pyriformis
TEHY pT, LC50 (pT) for the ciliate Tetrahymena pyriformis
Terrestrial species effects, insects, bacteria, worms:
AEDES pT, 24-hr LC50 for larvae of the mosquito Aedes aegyptis
BACILLs mg/L, LC50 (mg/L) for Bacillus subtilis spore germination
BACILLs pT, LC50 (pT) for Bacillus subtilis spore germination
CULEXl pT, 24-hr LC50 for larvae of the mosquito Culex quinquefasciatus
EISFET-48 pT, 48-hr LD50 (pT) for the worm Eisenia fetida
HBEE, LD50 pT [log(bee/mmol)] for the honeybee Apis mellifera
MUSCAd pT, 24-hr topical LD50 (pT) for the fly Musca domestica
MUSCAd pT, 24-hr topical LD50 (pT) for the fly Musca domestica
NITBAC-24 mg/L, 96-hr LC50 (mg/L) for Nitrobacter sp.
NITBAC-24 pT, 96-hr LC50 (pT) for Nitrobacter sp.
TANY-48 mg/L, 48-hr LC50 (mg/L) for the midge Tanytarsus dissimilis
TANY-48 pT, 48-hr LC50 (pT ) for the midge Tanytarsus dissimilis
Terrestrial species effects, mammals:
IPMOUS mg/kg b.w., LD50 (mg/kg b.w.) for the mouse Mus musculus
IPMOUS pT, LD50 (pT) for the mouse Mus musculus
IPRAT mg/kg b.w., LD50 (mg/kg b.w.) for the rat Rattus norvegicus
IPRAT pT, LD50 (pT) for the rat Rattus norvegicus
IVMOUS mg/kg b.w., LD50 (mg/kg b.w.) for the mouse Mus musculus
IVMOUS pT, LD50 (pT) for the mouse Mus musculus
IVRAT mg/kg b.w., LD50 (mg/kg b.w.) for the rat Rattus norvegicus
IVRAT pT, LD50 (pT) for the rat Rattus norvegicus
OMOUS mg/kg b.w. LD50 (mg/kg b.w.) for the mouse Mus musculus
OMOUS pT, LD50 (pT) for the mouse Mus musculus
ORAT mg/kg b.w. LD50 (mg/kg b.w.) for the rat Rattus norvegicus
ORAT pT, LD50 (pT) for the rat Rattus norvegicus
Eye irritation (Draize test), mostly rabbit, in mg
Dermal irritation (Draize test), mostly rabbit, in mg
Terrestrial species effects, birds:
Quail, dietary (8-day) LD50 (mg/kg) for the bobwhite quail, Japanese quail, mallard, or other species tested
Physico-chemical properties:
Sol mg/L, the aqueous solubility of the compound in mg/L, measured
SOL pT, the aqueous solubility of the compound measured in log [1/(mmol/L)], measured
MP, the melting point in °C, measured
BP, the boiling point, measured
mm Hg, the pressure for the stated boiling point when less than 760 mm Hg
REFIND, the index of refraction for the sodium D line, measured
DENS, the density of the compound, measured
FP, the flash point in °C (closed cup), measured
pKa, the acid dissociation constant, measured
pKa (ca), the acid dissociation constant of the conjugated acid of the compound, measured
DM, the dipole moment of the compound, measured
LOGBCF, log of the Bioconcentration Factor, measured
LOGH, the Henry constant expressed in dimensionless logarithmic form, measured
LOGKoc, the logarithm of the water/organic carbon partition coefficient, measured
LogP, (logKow), the octanol/water partition coefficient, measured
LWAPC, log of the air/water partition coefficient, measured
CMC, (pT) the critical micelle concentration of the compound, measured
vDWV, the van der Waal's volume in (Angstrom³)
t1/2-d soil, the half life in soil of the compound [days], measured
BIOD-inher, inherent biodegradability, percent of theoretical maximum, measured
BIOD-ready, ready biodegradability, percent of theoretical maximum, measured
Compound information contains the following:
Name, the name of the compound, some trade names, etc. included
CAS, the Chemical Abstracts Service Registry Number of the compound
Formula, the chemical formula of the compound
SMILES, the 2D/3D molecular code in the Simplified Molecular Input Line Entry System of the compound
OECD-HPV, high production volume chemicals
Congener, congener number as used for PCBs, PCDDs, PCDFs and similar series
Use/effects, the major use(s) and/or effects of the compound
EINECS, the European Inventory of Existing Chemical Substances accession number of the compound
RTECS, the Registry of Toxic Effects of Chemicals accession number of the compound
ENDOCRINE, endocrine system disrupting properties of the compound
CARCIN, known carcinogenicity (1) or lack thereof (0) of the compound
MUTAG, known mutagenicity (1) or lack thereof (0) of the compound
Biological origin, the plant or animal species from which the compound has been obtained, for a detailed list of species, see: Species.pdf
In addition to the measured values given above, TerraTox™ database products also provide the following computed biological effects and physico-chemical properties:
TerraQSAR-FHM, computed 96-hr LC50 (pT) for the fathead minnow Pimephales promelas, computed with our TerraQSAR-FHM program (vers. 1.1)
TerraQSAR-LOGP, computed octanol/water partition coefficient values (CLOGPs), computed with our TerraQSAR-FHM program (vers. 1.1)
ª: list subject to change without notice