Antipsychotics

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
brofoxine 21440-97-1 C10H10BrNO2 256.10
3.13
buramate 4663-83-6 C10H13NO3 195.22
1.83
proxibarbal 2537-29-3 C10H14N2O4 226.23
1.01
ciproximide 15518-76-0 C11H8ClNO2 221.64
2.08
mezilamine 50335-55-2 C11H18ClN5S 287.82
1.02
cintramide 5588-21-6 C12H15NO4 237.25
1.80
fenimide 60-45-7 C13H15NO2 217.27
2.50
dicarbine 17411-19-7 C13H18N2 202.30
2.06
etazolate 51022-77-6 C14H19N5O2 289.34
1.88
raclopride 84225-95-6 C15H20Cl2N2O3 347.24
1.54
fencamfamin 1209-98-9 C15H21N 215.34
6.23
isomolpan 107320-86-5 C15H21NO2 247.34
2.59
prothipendyl 303-69-5 C16H19N3S 285.41
4.74
batelapine 95634-82-5 C16H20N6 296.38
2.53
zetidoline 51940-78-4 C16H22ClN3O 307.82
2.98
melperone 3575-80-2 C16H22FNO 263.36
3.31
tilozepine 42239-60-1 C17H18ClN3S 331.87
2.96
timelotem 96306-34-2 C17H18FN3S 315.41
3.48
flumezapine 61325-80-2 C17H19FN4S 330.43
2.27
azabuperone 2856-81-7 C17H23FN2O 290.38
2.54
fluacizine 30223-48-4 C18H17F3N2OS 366.40
5.54
chlorprothixene-cis 113-59-7 C18H18ClNS 315.87
4.32
loxapine 1977-10-2 C18H18ClN3O 327.81
3.60
clotiapine 2058-52-8 C18H18ClN3S 343.88
4.45
azaperone 1649-18-9 C18H20FN3O 313.38
3.25
methopromazine 61-01-8 C18H22N2OS 314.45
4.68
berupipam 150490-85-0 C19H19BrClNO2 408.73
4.11
cyamemazine 3546-03-0 C19H21N3S 323.46
4.71
acepromazine 61-00-7 C19H22N2OS 326.46
4.69
alentemol 112891-97-1 C19H25NO 283.41
3.60
metoxepin 22013-23-6 C20H22N2O2 322.41
3.72
oxiperomide 5322-53-2 C20H23N3O2 337.42
4.25
prochlorperazine 58-38-8 C20H24ClN3S 373.95
4.31
propiomazine 362-29-8 C20H24N2OS 340.49
4.68
metitepine 20229-30-5 C20H24N2S2 356.55
5.74
halopemide 59831-65-1 C21H22ClFN4O2 416.88
3.51
bromperidol 10457-90-6 C21H23BrFNO2 420.33
4.30
periciazine 2622-26-6 C21H23N3OS 365.50
4.64
setoperone 86487-64-1 C21H24FN3O2S 401.50
1.86
fluanisone 1480-19-9 C21H25FN2O2 356.44
4.61
mesoridazine 5588-33-0 C21H26N2OS2 386.58
5.83
rimcazole 75859-04-0 C21H27N3 321.47
2.60
sonepiprazole 170858-33-0 C21H27N3O3S 401.53
2.02
pipamperone 1893-33-0 C21H30FN3O2 375.49
2.31
sarizotan 177975-08-5 C22H21FN2O 348.42
3.66
balaperidone 156862-51-0 C22H22FN3O2 379.43
3.56
milenperone 59831-64-0 C22H23ClFN3O2 415.90
4.54
lenperone 24678-13-5 C22H23F2NO2 371.43
4.29
timiperone 57648-21-2 C22H24FN3OS 397.52
2.36
zoloperone 52867-74-0 C22H24FN3O3 397.45
2.81
tefludazine 80680-06-4 C22H24F4N2O 408.44
3.73
zuclopentixol; clopenticol-cis 53772-83-1 C22H25ClN2OS 400.97
3.85
clopenthixol 982-24-1 C22H25ClN2OS 400.97
3.85
moperone 1050-79-9 C22H26FNO2 355.45
4.30
perimetazine 13093-88-4 C22H28N2O2S 384.54
4.68
thioproperazine 316-81-4 C22H30N4O2S2 446.64
4.52
elopriprazole 115464-77-2 C23H22FN3O 375.45
4.61
teflutixol 55837-23-5 C23H26F4N2OS 454.53
4.82
aripiprazole; Abilify 129722-12-9 C23H27Cl2N3O2 448.39
4.70
thiopropazate 84-06-0 C23H28ClN3O2S 446.01
4.44
tropapride 76352-13-1 C23H28N2O3 380.49
2.84
amperozide 75558-90-6 C23H29F2N3O 401.50
3.87
oxypertine 153-87-7 C23H29N3O2 379.50
4.64
acetophenazine 2751-68-0 C23H29N3O2S 411.57
4.37
blonanserin 132810-10-7 C23H30FN3 367.51
3.28
perospirone hydrochloride; see also CAS 150915-41-6 129273-38-7 C23H31ClN4O2S 463.04
2.96
perospirone hydrochloride; see also CAS 129273-38-7 150915-41-6 C23H31ClN4O2S 463.04
2.94
bifeprunox 350992-10-8 C24H23N3O2 385.47
4.31
sertindole 106516-24-9 C24H26ClFN4O 440.95
3.72
biriperone 41510-23-0 C24H26FN3O 391.49
3.91
iloperidone 133454-47-4 C24H27FN2O4 426.49
3.97
piperacetazine 3819-00-9 C24H30N2O2S 410.58
4.68
milipertine 24360-55-2 C24H31N3O3 409.53
4.51
abaperidone 183849-43-6 C25H25FN2O5 452.48
3.61
savoxepin 79262-46-7 C25H26N2O 370.50
2.77
alpertine 27076-46-6 C25H31N3O4 437.54
3.71
oxaflumazine 16498-21-8 C26H32F3N3O2S 507.62
4.72
penfluridol 26864-56-2 C28H27ClF5NO 523.97
3.78
clopimozide 53179-12-7 C28H28ClF2N3O 496.00
4.39
mosapramine 89419-40-9 C28H35ClN4O 479.07
4.84
lurasidone 367514-87-2 C28H36N4O2S 492.69
1.75
umespirone 107736-98-1 C28H40N4O5 512.65
2.00
fluspirilene 1841-19-6 C29H31F2N3O 475.58
4.65
metofenazate 388-51-2 C31H36ClN3O5S 598.16
4.28


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