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: | 003357-42-4 | |
|---|---|---|
| Name: | 3-phenyl-2H-1,2,4-triazole | |
| Description: | InChI code and name were downloaded from http://cactus.nci.nih.gov | |
| Labels: | ||
| CAS: | 3357-42-4 | |
| InChi Code: | InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6H,(H,9,10,11) |
Properties
logKow: Octanol/water partition coefficient as logKow
| Value | Source or prediction |
|---|---|
| 1.54 |
experimental value |
| 1.01 |
Eq2: Model for octanol/water partition coefficient (Training set) |