Bhhatarai, B.; Gramatica, P. Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning. Water Res. 2011, 45, 3, 1463–1471.

Compound

	ID:	028911-01-5
	Name:	8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
	Description:	InChI code and name were downloaded from http://cactus.nci.nih.gov
	Labels:
	CAS:	28911-01-5
	InChi Code:	InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3

Properties

logKow: Octanol/water partition coefficient as logKow

Value	Source or prediction
2.42	experimental value
2.68	Eq2: Model for octanol/water partition coefficient (Training set)

Links to External Resources

Link	Resource description
DTXSID6046763	US EPA CompTox Dashboard