Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 103 | |
|---|---|---|
| Name: | 2-(1H-1,2,3-benzotriazol-1-yl)ethan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1H-Benzotriazole-1-ethanol | |
| Labels: | ||
| CAS: | 938-56-7 | |
| InChi Code: | InChI=1S/C8H9N3O/c12-6-5-11-8-4-2-1-3-7(8)9-10-11/h1-4,12H,5-6H2 |
Properties
M17.logKow: The octanol-water partition coefficient as log(Kow)
| Value | Source or prediction |
|---|---|
| 0.5 |
experimental value |
| 0.812 |
Tab2.Model_17: (B)TAZ logKow (Training set) |