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) |