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: | 028911-01-5 | |
|---|---|---|
| Name: | 8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | |
| Description: | InChI code and name were downloaded from http://cactus.nci.nih.gov | |
| 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
logKow: Octanol/water partition coefficient as logKow
| Value | Source or prediction |
|---|---|
| 2.42 |
experimental value |
| 2.68 |
Eq2: Model for octanol/water partition coefficient (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6046763 | US EPA CompTox Dashboard |