Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	119
	Name:	12-chloro-9-(2-chlorophenyl)-3-methyl-2,4,5,8-tetraazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Triazolam
	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

M17.logKow: The octanol-water partition coefficient as log(Kow)

Value	Source or prediction
2.42	experimental value
3.3742	Tab2.Model_17: (B)TAZ logKow (Training set)