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: | 069141-50-0 | |
|---|---|---|
| Name: | (5S,6S)-6-hydroxy-2,2,7,7-tetramethyl-5-(1,2,4-triazol-1-yl)octan-3-one | |
| Description: | InChI code and name were downloaded from http://cactus.nci.nih.gov | |
| Labels: | ||
| CAS: | 69141-50-0 | |
| InChi Code: | InChI=1S/C14H25N3O2/c1-13(2,3)11(18)7-10(12(19)14(4,5)6)17-9-15-8-16-17/h8-10,12,19H,7H2,1-6H3/t10-,12+/m0/s1 |
Properties
logKow: Octanol/water partition coefficient as logKow
| Value | Source or prediction |
|---|---|
| 1.95 |
experimental value |
| 1.37 |
Eq2: Model for octanol/water partition coefficient (Training set) |