Hypnotics; TerraQSAR-LOGP computed octanol/water partition coefficients (CLOGPs)

Hypnotics

TerraQSAR-LOGP^TM 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	MW	TerraQSAR - LOGP
cloretate	5634-37-7	C5H4Cl6O3	324.80	2.78
carbocloral	541-79-7	C5H8Cl3NO3	236.48	1.57
midaflur	23757-42-8	C7H3F12N3	357.10	2.17
ethchlorvynol	113-18-8	C7H9ClO	144.60	0.52
cloral betaine	2218-68-0	C7H14Cl3NO4	282.55	-0.27
pyrithyldione	77-04-3	C9H13NO2	167.21	1.47
capuride	5579-13-5	C10H20N2O2	200.28	1.82
detomidine	76631-46-4	C12H14N2	186.26	1.57
tetrabarbital	76-23-3	C12H20N2O3	240.30	2.07
glutethimide	77-21-4	C13H15NO2	217.27	2.42
nisobamate	25269-04-9	C13H26N2O4	274.36	0.75
alonimid	2897-83-8	C14H13NO3	243.26	2.40
taglutimide	14166-26-8	C14H16N2O4	276.29	3.10
benzoclidine	16852-81-6	C14H17NO2	231.29	2.99
mecloqualone	340-57-8	C15H11ClN2O	270.72	2.50
agomelatine	138112-76-2	C15H17NO2	243.31	3.56
roletamide	10078-46-3	C16H19NO4	289.33	2.35
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
cyprazepam	15687-07-7	C19H18ClN3O	339.83	3.73
perlapine	1977-11-3	C19H21N3	291.40	3.24
rilmazafone [structure identical with sertaconazole, CAS 99592-32-2]	99593-25-6	C20H15Cl3N2OS	437.78	3.87
indiplon	325715-02-4	C20H16N4O2S	376.44	2.96
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