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:	120
	Name:	12-chloro-3-methyl-9-phenyl-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: Alprazolam
	Labels:
	CAS:	28981-97-7
	InChi Code:	InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3

Properties

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

Value	Source or prediction
2.12	experimental value
2.9317	Tab2.Model_17: (B)TAZ logKow (Training set)