Antipsychotics [selection]

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


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,
or consult TerraBase Inc.


NAME CAS FORMULA MWTerraQSAR - LOGP
LY-379268 191471-52-0 C7H9NO5 187.15
0.61
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; cyproximide 15518-76-0 C11H8ClNO2 221.64
2.08
mezilamine 50335-55-2 C11H18ClN5S 287.82
1.02
farampator 211735-76-1 C12H13N3O2 231.25
0.77
cintramide; cintriamide 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
imidoline 7303-78-8 C13H19Cl2N3O 304.22
1.40
flucindole; flucindol 40594-09-0 C14H16F2N2 250.29
2.38
etazolate 51022-77-6 C14H19N5O2 289.34
1.88
raclopride 84225-95-6 C15H20Cl2N2O3 347.24
1.54
vabicaserin 620948-93-8 C15H20N2 228.34
2.64
fencamfamin 1209-98-9 C15H21N 215.34
6.23
isomolpan 107320-86-5 C15H21NO2 247.34
2.59
piquindone; Ro 22-1319 78541-97-6 C15H22N2O 246.35
2.78
sulpiride 15676-16-1 C15H23N3O4S 341.42
0.57
tepirindole 72808-81-2 C16H19ClN2 274.79
2.83
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
remoxipride 80125-14-0 C16H23BrN2O3 371.28
1.04
molindone 7416-34-4 C16H24N2O2 276.38
2.32
molindone hydrochloride 15622-65-8 C16H25ClN2O2 312.84
1.68
prosulpride 68556-59-2 C16H25N3O4S 355.46
0.57
tilozepine 42239-60-1 C17H18ClN3S 331.87
2.96
timelotem 96306-34-2 C17H18FN3S 315.41
3.48
chlorpromazine; chlopromazine 50-53-3 C17H19ClN2S 318.86
5.19
flumezapine 61325-80-2 C17H19FN4S 330.43
2.27
olanzapine; LY 170053 132539-06-1 C17H20N4S 312.44
2.32
azabuperone 2856-81-7 C17H23FN2O 290.38
2.54
fluacizine 30223-48-4 C18H17F3N2OS 366.40
5.54
chlorprothixene-cis; CPT 113-59-7 C18H18ClNS 315.87
4.32
loxapine 1977-10-2 C18H18ClN3O 327.81
3.60
clotiapine; clothiapine 2058-52-8 C18H18ClN3S 343.88
4.45
clozapine 5786-21-0 C18H19ClN4 326.83
3.17
L-745,870 158985-00-3 C18H19ClN4 326.83
3.26
triflupromazine; fluopromazine 146-54-3 C18H19F3N2S 352.42
5.54
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
fluperlapine 67121-76-0 C19H20FN3 309.39
3.24
clorotepine; octoclothepine; clothepin 13448-22-1 C19H21ClN2S 344.91
4.58
cyamemazine 3546-03-0 C19H21N3S 323.46
4.71
acepromazine 61-00-7 C19H22N2OS 326.46
4.69
methotrimeprazine; levomepromazine 60-99-1 C19H24N2OS 328.47
4.68
methiomeprazine; levometiomeprazine 7009-43-0 C19H24N2S2 344.54
5.86
methiomeprazine hydrochloride 14056-64-5 C19H25ClN2S2 381.00
5.75
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; methiothepin 20229-30-5 C20H24N2S2 356.55
5.74
ziprasidone 146939-27-7 C21H21ClN4OS 412.94
3.95
halopemide 59831-65-1 C21H22ClFN4O2 416.88
3.51
ziprasidone hydrochloride [monohydrate] 138982-67-9 C21H22Cl2N4OS 449.40
3.68
bromperidol 10457-90-6 C21H23BrFNO2 420.33
4.30
haloperidol 52-86-8 C21H23ClFNO2 375.87
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
difluoperazine dihydrochloride 440-17-5 C21H26Cl2F3N3S 480.42
4.84
mesoridazine 5588-33-0 C21H26N2OS2 386.58
5.83
thioridazine 50-52-2 C21H26N2S2 370.57
5.88
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
cariprazine 839712-12-8 C21H32Cl2N4O 427.42
3.84
sarizotan 351862-32-3 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
benperidol 2062-84-2 C22H24FN3O2 381.45
4.50
zoloperone 52867-74-0 C22H24FN3O3 397.45
2.81
tefludazine 80680-06-4 C22H24F4N2O 408.44
3.73
clopenthixol-trans; clopentixol; zuclopenthixol 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
benzquinamide; Emete-Con 63-12-7 C22H32N2O5 404.51
2.69
elopiprazole 115464-77-2 C23H22FN3O 375.45
4.61
flupentixol; flupenthixol 2709-56-0 C23H23F3N2OS 432.51
5.01
teflutixol 55837-23-5 C23H26F4N2OS 454.53
4.82
aripiprazole; Abilify 129722-12-9 C23H27Cl2N3O2 448.39
4.70
risperidone 106266-06-2 C23H27FN4O2 410.49
1.28
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
thiothixene; tiotixene 5591-45-7 C23H29N3O2S2 443.63
4.13
blonanserin 132810-10-7 C23H30FN3 367.51
3.28
perospirone 150915-41-6 C23H30N4O2S 426.57
3.58
perospirone hydrochloride 129273-38-7 C23H31ClN4O2S 463.04
2.96
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
piflutoxicol C24H28FNOS 397.56
3.72
piflutoxicol hydrochloride 60197-32-2 C24H29ClFNOS 434.02
3.32
dexclamol, (+) 52340-25-7 C24H29NO 347.50
4.01
piperacetazine 3819-00-9 C24H30N2O2S 410.58
4.68
butaperazine 653-03-2 C24H31N3OS 409.60
4.57
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
imiclopazine 7224-08-0 C25H32ClN5OS 486.08
4.19
oxaflumazine 16498-21-8 C26H32F3N3O2S 507.62
4.72
mazapertine 134208-17-6 C26H35N3O2 421.58
3.73
flutroline 70801-02-4 C27H25F3N2O 450.50
5.29
ritanserin 87051-43-2 C28H26F2N2OS 476.59
4.34
duoperone 62030-88-0 C28H26F4N2OS 514.58
5.07
penfluridol 26864-56-2 C28H27ClF5NO 523.97
3.78
clopimozide 53179-12-7 C28H28ClF2N3O 496.00
4.39
pimozide 2062-78-4 C28H29F2N3O 461.56
4.43
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
bromperidol decanoate 75067-66-2 C31H41BrFNO3 574.58
4.31
haloperidol decanoate 74050-97-8 C31H41ClFNO3 530.12
4.31
reserpine 50-55-5 C33H40N2O9 608.69
2.84


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