Hypnotics [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,


NAME CAS FORMULA MWTerraQSAR - LOGP
triclofos 306-52-5 C2H4Cl3O4P 229.38
1.07
cloretate 5634-37-7 C5H4Cl6O3 324.80
2.78
carbocloral 541-79-7 C5H8Cl3NO3 236.48
1.57
paraldehyde 123-63-7 C6H12O3 132.16
0.86
midaflur 23757-42-8 C7H3F12N3 357.10
2.17
ethchlorvynol 113-18-8 C7H9ClO 144.60
0.52
ibrotamide 466-14-8 C7H14BrNO 208.10
1.92
cloral betaine 2218-68-0 C7H14Cl3NO4 282.55
-0.27
methylsulfonal; trional 76-20-0 C8H18O4S2 242.35
-0.17
pyrithyldione 77-04-3 C9H13NO2 167.21
1.47
novonal; valdetamide 512-48-1 C9H17NO 155.24
2.54
allobarbital; allobarbitol 52-43-7 C10H12N2O3 208.22
1.13
capuride 5579-13-5 C10H20N2O2 200.28
1.82
5-methoxytryptamine 608-07-1 C11H14N2O 190.25
1.55
narcobarbital; Pronarcon 125-55-3 C11H15BrN2O3 303.16
1.40
detomidine 76631-46-4 C12H14N2 186.26
1.57
iminophenimide 7008-18-6 C12H14N2O2 218.26
1.07
nealbarbital 561-83-1 C12H18N2O3 238.29
1.55
tetrabarbital 76-23-3 C12H20N2O3 240.30
2.07
(R)-thalidomide (+) 2614-06-4 C13H10N2O4 258.23
1.79
thalidomide (+/-) 50-35-1 C13H10N2O4 258.23
1.79
glutethimide 77-21-4 C13H15NO2 217.27
2.42
medetomidine 86347-14-0 C13H16N2 200.28
1.52
nisobamate 25269-04-9 C13H26N2O4 274.36
0.75
alonimid 2897-83-8 C14H13NO3 243.26
2.40
taglutimide; biglumide 14166-26-8 C14H16N2O4 276.29
3.10
benzoclidine 16852-81-6 C14H17NO2 231.29
2.99
trimetozine 635-41-6 C14H19NO5 281.31
0.96
mecloqualone 340-57-8 C15H11ClN2O 270.72
2.50
nitrazepam 146-22-5 C15H11N3O3 281.27
2.25
agomelatine 138112-76-2 C15H17NO2 243.31
3.56
dichloralphenazone 480-30-8 C15H18Cl6N2O5 519.04
2.06
propoxate 7036-58-0 C15H18N2O2 258.32
1.96
flunitrazepam 1622-62-4 C16H12FN3O3 313.29
2.07
temazepam 846-50-4 C16H13ClN2O2 300.74
2.19
roletamide 10078-46-3 C16H19NO4 289.33
2.35
triazolam; halcion 28911-01-5 C17H12Cl2N4 343.22
2.12
zaleplon 151319-34-5 C17H15N5O 305.34
0.72
bentazepam 29462-18-8 C17H16N2OS 296.39
2.73
eszopiclone 138729-47-2 C17H17ClN6O3 388.81
-0.55
damotepine 1469-07-4 C17H17NS 267.39
4.45
uldazepam 28546-58-9 C18H15Cl2N3O 360.24
2.44
fosazepam 35322-07-7 C18H18ClN2O2P 360.78
3.02
adipipion 840486-93-3 C18H18FN7 351.39
1.25
cyprazepam 15687-07-7 C19H18ClN3O 339.83
3.73
perlapine 1977-11-3 C19H21N3 291.40
3.24
zolpidem 82626-48-0 C19H21N3O 307.39
2.98
rilmazafone 99593-25-6 C20H15Cl3N2OS 437.78
3.87
indiplon 325715-02-4 C20H16N4O2S 376.44
2.96
flurazepam 17617-23-1 C21H23ClFN3O 387.89
3.06
quetiapine 111974-69-7 C21H25N3O2S 383.51
4.31
etodroxizine 17692-34-1 C23H29ClN2O3 416.95
4.12
lirequinil 143943-73-1 C26H25ClN2O3 448.95
2.24
difebarbamate 15687-09-9 C28H42N4O9 578.66
3.74
zolpidem hemitartrate 99294-93-6 C42H48N6O8 764.88
4.81


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