Antidepressants

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), use TerraQSAR-RMIV, TerraQSAR-FHM, and TerraQSAR-E2-RBA programs, or consult TerraBase Inc.

NAME CAS FORMULA MWTerraQSAR - LOGP
timirdine 100417-09-2 C9H10ClN3S 227.72
1.94
iproniazid 54-92-2 C9H13N3O 179.22
-0.59
fluparoxan 105182-45-4 C10H10FNO2 195.19
2.04
suritozole 110623-33-1 C10H10FN3S 223.27
0.85
caroxazone 18464-39-6 C10H10N2O3 206.20
1.74
anpirtoline 98330-05-3 C10H13ClN2S 228.74
1.71
ciproximide 15518-76-0 C11H8ClNO2 221.64
2.08
tetramisole 5036-02-2 C11H12N2S 204.29
2.93
dexamisole 14769-74-5 C11H12N2S 204.29
2.93
tifemoxone 39754-64-8 C11H13NO2S 223.29
1.64
toloxatone 29218-27-7 C11H13NO3 207.23
2.78
deximafen 60719-87-1 C11H13N3 187.25
3.43
feprosidnine 22293-47-6 C11H13N3O 203.24
1.89
Imafen hydrochloride 53361-24-3 C11H14ClN3 223.71
3.42
alfetamine 4255-23-6 C11H15N 161.25
2.27
carbenzide 3240-20-8 C11H16N2O2 208.26
1.99
isocarboxazid 59-63-2 C12H13N3O2 231.25
1.02
fenpentadiol 15687-18-0 C12H17ClO2 228.72
3.05
flerobuterol 82101-10-8 C12H18FNO 211.28
2.47
clorgiline 17780-72-2 C13H15Cl2NO 272.17
2.94
quipazine 4774-24-7 C13H15N3 213.28
2.77
encyprate 2521-01-9 C13H17NO2 219.28
1.94
alaproclate 60719-82-6 C13H18ClNO2 255.74
2.27
viloxazine 46817-91-8 C13H19NO3 237.30
1.83
cyprodenate 15585-86-1 C13H25NO2 227.35
5.26
napamezole 91524-14-0 C14H16N2 212.30
2.98
rolicyprine 2829-19-8 C14H16N2O2 244.29
1.47
indeloxazine 60929-23-9 C14H17NO2 231.29
2.97
lubazodone 161178-07-0 C14H18FNO2 251.30
2.21
oxaflozane 26629-87-8 C14H18F3NO 273.30
2.89
eprobemide 87940-60-1 C14H19ClN2O2 282.77
0.95
fluvoxamine 54739-18-3 C15H21F3N2O2 318.34
3.90
milnacipran 92623-85-3 C15H22N2O 246.35
1.72
ethomoxane 3570-46-5 C15H23NO3 265.35
1.92
seproxetine 126924-38-7 C16H16F3NO 295.30
3.82
tiflucarbine 89875-86-5 C16H17FN2S 288.39
2.88
metapramine 21730-16-5 C16H18N2 238.33
4.56
nialamide 51-12-7 C16H18N4O2 298.35
3.01
medifoxamine 32359-34-5 C16H19NO2 257.33
3.58
prazitone 2409-26-9 C16H19N3O3 301.35
1.32
desfenlafaxine; venlafaxine-O-demethyl (S) 93413-62-8 C16H25NO2 263.38
6.32
ciclazindol 37751-39-6 C17H15ClN2O 298.77
3.32
fengabine 80018-06-0 C17H17Cl2NO 322.23
3.58
atibeprone 153420-96-3 C17H18N2O3S 330.41
2.85
Mirtazapine 61337-67-5 C17H19N3 265.36
3.27
propizepine 10321-12-7 C17H20N4O 296.37
1.69
atomoxetine; tomexetine 83015-26-3 C17H21NO 255.36
3.12
nisoxetine 53179-07-0 C17H21NO2 271.36
3.39
minaprine 25905-77-5 C17H22N4O 298.39
1.35
sunepitron; CAS also 148408-65-5 131881-03-3 C17H23N5O2 329.40
1.40
trocimine 14368-24-2 C17H25NO4 307.39
1.03
sibutramine 106650-56-0 C17H26ClN 279.85
4.60
fluacizine 30223-48-4 C18H17F3N2OS 366.40
5.54
mesocarb 34262-84-5 C18H18N4O2 322.37
4.10
prothixene 2622-24-4 C18H19NS 281.42
4.33
nerisopam 102771-12-0 C18H19N3O2 309.37
3.11
clomacran 5310-55-4 C18H21ClN2 300.83
3.65
pipradrol 467-60-7 C18H21NO 267.37
3.51
delfaprazine 117827-81-3 C18H22N2 266.39
4.21
sifaprazine 131635-06-8 C18H22N2 266.39
4.19
setiptiline 57262-94-9 C19H19N 261.37
4.65
demexiptiline 24701-51-7 C19H20N2O 292.38
4.55
nortriptyline 72-69-5 C19H21N 263.38
4.91
beloxepin [both enantiomers] 135928-30-2 C19H21NO2 295.38
3.66
noxiptiline 3362-45-6 C19H22N2O 294.40
3.69
tiazesim 5845-26-1 C19H22N2OS 326.46
2.72
clomipramine; chloroimipramine 303-49-1 C19H23ClN2 314.86
3.89
binedaline 60662-16-0 C19H23N3 293.41
3.32
daledalin 22136-27-2 C19H24N2 280.41
4.56
etoperidone 52942-31-1 C19H28ClN5O 377.92
3.22
iprindole 5560-72-5 C19H28N2 284.45
2.74
gepirone 83928-76-1 C19H29N5O2 359.47
1.63
tisocromide 35423-51-9 C19H30N2O6S 414.52
2.49
benzaprinoxide 52758-02-8 C20H20ClNO 325.84
4.62
befuraline 41717-30-0 C20H20N2O2 320.39
3.22
citalopram (S); Escitalopram; CAS also 128196-01-0 59729-33-8 C20H21FN2O 324.40
2.34
flibanserin 167933-07-5 C20H21F3N4O 390.41
3.81
amitriptylin oxide 4317-14-0 C20H23NO 293.41
4.27
oxaprotiline 56433-44-4 C20H23NO 293.41
1.88
dexnafenodone 92629-87-3 C20H23NO 293.41
1.73
fezolamine 80410-36-2 C20H23N3 305.42
3.14
nardeterol 73865-18-6 C20H24FN3O2 357.43
2.70
femoxetine 59859-58-4 C20H25NO2 311.42
3.55
benactyzine 302-40-9 C20H25NO3 327.42
4.74
talsupram 21489-20-3 C20H25NS 311.49
3.44
monophosphothiamine 4757-49-7 C20H26N2 294.44
3.72
nuclotixene 36471-39-3 C21H20ClNS 353.91
4.22
dapoxetine 119356-77-3 C21H23NO 305.42
4.39
fluotracen 35764-73-9 C21H24F3N 347.42
3.75
quinupramine 31721-17-2 C21H24N2 304.44
4.83
elzasonan 361343-19-3 C22H23Cl2N3OS 448.42
2.97
napitane 148152-63-0 C22H25NO2 335.45
2.69
amineptine 57574-09-1 C22H27NO2 337.46
3.42
roxindole 112192-04-8 C23H26N2O 346.47
3.43
opipramol 315-72-0 C23H29N3O 363.50
4.71
oxypertine 153-87-7 C23H29N3O2 379.50
4.64
alnespirone 138298-79-0 C26H38N2O4 442.60
3.74
omiloxetine 176894-09-0 C27H25F2NO4 465.50
4.27
sulbutiamine 3286-46-2 C32H46N8O6S2 702.90
1.45
nemfitide 173240-15-8 C33H43FN10O6 694.77
-1.25


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