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:	041083-11-8
	Name:	tricyclohexyl-(1,2,4-triazol-1-yl)stannane
	Description:	InChI code and name were downloaded from http://cactus.nci.nih.gov
	Labels:
	CAS:	41083-11-8
	InChi Code:	InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1

Properties

logWS: Aqueous solubility as logWS [mg/L]

Value	Source or prediction
-0.921	experimental value
-0.58	Eq1: Model for aqueous solubility (Training set)

logKow: Octanol/water partition coefficient as logKow

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