Antidepressants [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
N,N-dimethylaminoethanol; deanol 108-01-0 C4H11NO 89.14
0.18
(-)-norepinephrine 51-41-2 C8H11NO3 169.18
-0.66
mebanazine 65-64-5 C8H12N2 136.20
1.58
phenylethylhydrazine sulfate 156-51-4 C8H14N2O4S 234.27
1.52
octamoxin 4684-87-1 C8H20N2 144.26
1.74
timirdine 100417-09-2 C9H10ClN3S 227.72
1.94
tranylcypromine 155-09-9 C9H11N 133.19
2.49
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
serotonin; 5-hydroxytryptamine 50-67-9 C10H12N2O 176.22
1.59
anpirtoline 98330-05-3 C10H13ClN2S 228.74
1.71
ciproximide; cyproximide 15518-76-0 C11H8ClNO2 221.64
2.08
tozalinone; thozalinone 655-05-0 C11H12N2O2 204.23
1.56
dexamisole 14769-74-5 C11H12N2S 204.29
2.93
tetramisole 5036-02-2 C11H12N2S 204.29
2.93
tetramisole hydrochloride 5086-74-8 C11H13ClN2S 240.76
0.84
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
2.64
imafen; CAS also 60719-86-0 59198-18-4 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; aletamine 4255-23-6 C11H15N 161.25
2.27
cypenamine 15301-54-9 C11H15N 161.25
-0.53
carbenzide 3240-20-8 C11H16N2O2 208.26
1.99
isocarboxazid 59-63-2 C12H13N3O2 231.25
1.02
azepindole 26304-61-0 C12H14N2 186.26
2.50
manifaxine 135306-39-7 C12H15F2NO2 243.25
2.12
fenpentadiol 15687-18-0 C12H17ClO2 228.72
3.05
butacetin 2109-73-1 C12H17NO2 207.27
1.35
flerobuterol 82101-10-8 C12H18FNO 211.28
2.47
pyridarone 7035-04-3 C13H9NO 195.22
3.11
clorgiline 17780-72-2 C13H15Cl2NO 272.17
2.94
quipazine 4774-24-7 C13H15N3 213.28
2.77
moclobemide 71320-77-9 C13H17ClN2O2 268.74
0.94
encyprate 2521-01-9 C13H17NO2 219.28
1.94
bupropion 34841-39-9 C13H18ClNO 239.75
2.75
lometraline 39951-65-0 C13H18ClNO 239.75
2.93
alaproclate 60719-82-6 C13H18ClNO2 255.74
2.27
radafaxine 192374-14-4 C13H18ClNO2 255.74
2.68
bupropion hydrochloride 31677-93-7 C13H19Cl2NO 276.21
1.81
viloxazine 46817-91-8 C13H19NO3 237.30
1.83
dilopentine [both enantiomers] 247046-52-2 C13H19N3OS 265.38
0.04
cyprodenate 15585-86-1 C13H25NO2 227.35
5.26
zometapine 51022-73-2 C14H15ClN4 274.75
1.52
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
cyclindole; ciclindole 32211-97-5 C14H18N2 214.31
2.49
eprobemide 87940-60-1 C14H19ClN2O2 282.77
0.95
8-azabicyclo[3.2.1]octane, 8-methyl-3-phenoxy, endo- 16487-37-9 C14H19NO 217.31
2.90
8-azabicyclo[3.2.1]octane,3-phenoxy-8-methyl, exo-; NK 1145 16487-31-3 C14H19NO 217.31
2.90
nomelidine 60324-59-6 C15H15BrN2 303.21
2.64
metralindole; inkazan; inkasan 54188-38-4 C15H17N3O 255.32
2.21
pirlindole 60762-57-4 C15H18N2 226.32
2.13
fluvoxamine 54739-18-3 C15H21F3N2O2 318.34
3.90
milnacipran 92623-85-3 C15H22N2O 246.35
1.72
ethomoxane; CAS also 16509-23-2 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
nomifensine 24526-64-5 C16H18N2 238.33
2.85
nialamide 51-12-7 C16H18N4O2 298.35
3.01
zimelidine dihydrochloride 61129-30-4 C16H19BrCl2N2 390.16
0.53
medifoxamine 32359-34-5 C16H19NO2 257.33
3.58
aptazapine 71576-40-4 C16H19N3 253.35
3.83
prazitone 2409-26-9 C16H19N3O3 301.35
1.32
eclanamine 71027-13-9 C16H22Cl2N2O 329.27
3.27
levomilnapicran 96847-55-1 C16H24N2O 260.38
1.72
desfenlafaxine; venlafaxine-O-demethyl (S) 93413-62-8 C16H25NO2 263.38
6.32
ciclazindol 37751-39-6 C17H15ClN2O 298.77
3.32
fluradoline 71316-84-2 C17H16FNOS 301.38
2.58
sertraline (1S,4S) 79617-96-2 C17H17Cl2N 306.24
2.87
diclofensine 67165-56-4 C17H17Cl2NO 322.23
4.11
fengabine 80018-06-0 C17H17Cl2NO 322.23
3.58
fluoxetine 54910-89-3 C17H18F3NO 309.33
3.82
atibeprone 153420-96-3 C17H18N2O3S 330.41
2.85
fluoxetin hydrochloride 59333-67-4 C17H19ClF3NO 345.79
3.42
mirtazapine; Org 3770 61337-67-5 C17H19N3 265.36
3.27
piberaline 39640-15-8 C17H19N3O 281.36
1.65
clemeprol 71827-56-0 C17H20ClNO 289.81
3.63
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
cilobamine 69429-84-1 C17H23Cl2NO 328.28
5.40
sunepitron; CAS also 148408-65-5 131881-03-3 C17H23N5O2 329.40
1.40
trocimine 14368-24-2 C17H25NO4 307.39
1.03
gamfexine 7273-99-6 C17H27N 245.41
7.51
venlafaxine (S) 93413-69-5 C17H27NO2 277.41
5.45
venlafaxine hydrochloride; Effexor 99300-78-4 C17H28ClNO2 313.87
2.61
fluacizine 30223-48-4 C18H17F3N2OS 366.40
5.54
mesocarb 34262-84-5 C18H18N4O2 322.37
4.10
duloxetine 116539-59-4 C18H19NOS 297.42
4.27
prothixene 2622-24-4 C18H19NS 281.42
4.33
nerisopam 102771-12-0 C18H19N3O2 309.37
3.11
duloxetine hydrochloride 136434-34-9 C18H20ClNOS 333.88
2.47
amezepine; RU 5031 60575-32-8 C18H20N2 264.37
4.68
mianserin 24219-97-4 C18H20N2 264.37
4.24
clomacran 5310-55-4 C18H21ClN2 300.83
3.65
pipradrol 467-60-7 C18H21NO 267.37
3.51
dibenzepin 4498-32-2 C18H21N3O 295.39
3.58
delfaprazine 117827-81-3 C18H22N2 266.39
4.21
desipramine; imipramine 50-47-5 C18H22N2 266.39
4.90
sifaprazine 131635-06-8 C18H22N2 266.39
4.19
pexacerfont 459856-18-9 C18H24N6O 340.43
2.85
setiptiline 57262-94-9 C19H19N 261.37
4.65
paroxetine (3S,4R) 61869-08-7 C19H20FNO3 329.37
3.29
demexiptiline 24701-51-7 C19H20N2O 292.38
4.55
paroxetine hydrochloride [hemihydrate] 110429-35-1 C19H21ClFNO3 365.83
2.33
paroxetine hydrochloride 78246-49-8 C19H21ClFNO3 365.83
2.33
nortriptyline 72-69-5 C19H21N 263.38
4.91
doxepin 1668-19-5 C19H21NO 279.38
4.90
beloxepin; Org 4428; [both enantiomers] 135928-30-2 C19H21NO2 295.38
3.66
dosulepin; dothiepin 113-53-1 C19H21NS 295.45
2.71
nortriptyline hydrochloride 894-71-3 C19H22ClN 299.84
3.64
protriptyline hydrochloride 1225-55-4 C19H22ClN 299.84
3.58
dothiepin hydrochloride 897-15-4 C19H22ClNS 331.91
2.78
trazodone 19794-93-5 C19H22ClN5O 371.87
3.08
ketipramine; ketoimipramine 796-29-2 C19H22N2O 294.40
4.29
noxiptiline 3362-45-6 C19H22N2O 294.40
3.69
tiazesim; thiazesim 5845-26-1 C19H22N2OS 326.46
2.72
clomipramine; chloroimipramine 303-49-1 C19H23ClN2 314.86
3.89
trazodone hydrochloride 25332-39-2 C19H23Cl2N5O 408.33
2.84
protriptyline 438-60-8 C19H23N 263.38
4.30
esreboxetine 98819-76-2 C19H23NO3 313.40
3.02
reboxetine; see CAS 71620-89-8 98769-81-4 C19H23NO3 313.4
3.01
binedaline 60662-16-0 C19H23N3 293.41
3.32
daledalin 22136-27-2 C19H24N2 280.41
4.56
imipramine 50-49-7 C19H24N2 280.41
4.80
imipraminoxide 6829-98-7 C19H24N2O 296.41
4.80
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 (R/S) 59729-33-8 C20H21FN2O 324.40
2.34
escitalopram; S(+)-citalopram 128196-01-0 C20H21FN2O 324.4
2.34
flibanserin 167933-07-5 C20H21F3N4O 390.41
3.81
citalopram (R/S) hydrobromide 59729-32-7 C20H22BrFN2O 405.32
2.24
maprotiline 10262-69-8 C20H23N 277.41
2.02
amitriptylinoxide; amitriptylin oxide 4317-14-0 C20H23NO 293.41
4.27
dexnafenodone 92629-87-3 C20H23NO 293.41
1.73
oxaprotiline 56433-44-4 C20H23NO 293.41
1.88
fezolamine 80410-36-2 C20H23N3 305.42
3.14
maprotiline hydrochloride 10347-81-6 C20H24ClN 313.87
2.02
nardeterol 73865-18-6 C20H24FN3O2 357.43
2.70
talopram; LU 3010 7182-51-6 C20H25NO 295.43
4.00
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
talopram hydrochloride 7013-41-4 C20H26ClNO 331.89
3.25
dimetacrine 4757-55-5 C20H26N2 294.44
3.79
monometacrine; monophosphothiamine 4757-49-7 C20H26N2 294.44
3.72
trimipramine; trimeprimine 739-71-9 C20H26N2 294.44
4.81
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
escitalopram oxalate; (S)-citalopram oxalate 219861-08-2 C22H23FN2O5 414.43
1.50
napitane 148152-63-0 C22H25NO2 335.45
2.69
amineptine 57574-09-1 C22H27NO2 337.46
3.42
tianeptine 66981-73-5 C22H29ClN2O4S 453.00
2.22
roxindole 112192-04-8 C23H26N2O 346.47
3.43
opipramol; endison 315-72-0 C23H29N3O 363.50
4.71
oxypertine 153-87-7 C23H29N3O2 379.50
4.64
adoprazine 222551-17-9 C24H24FN3O2 405.47
3.28
lensiprazine 327026-93-7 C24H27FN4O2 422.50
4.32
pipradimadol 68797-29-5 C24H37ClN2O2 421.02
3.53
nefazodone 83366-66-9 C25H32ClN5O2 470.02
4.41
nefazodone hydrochloride 82752-99-6 C25H33Cl2N5O2 506.48
4.01
lofepramine 23047-25-8 C26H27ClN2O 418.97
4.97
vilazodone 163521-12-8 C26H27N5O2 441.53
2.59
alnespirone 138298-79-0 C26H38N2O4 442.60
3.74
omiloxetine 176894-09-0 C27H25F2NO4 465.50
4.27
ritanserin 87051-43-2 C28H26F2N2OS 476.59
4.34
hypericin 548-04-9 C30H16O8 504.44
2.69
sulbutiamine 3286-46-2 C32H46N8O6S2 702.90
1.45
nemfitide 173240-15-8 C33H43FN10O6 694.77
-1.25


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