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: | 111 | |
|---|---|---|
| Name: | 3-phenyl-1H-1,2,4-triazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 5-Phenyl-1H-1,2,4-triazole | |
| 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
M17.logKow: The octanol-water partition coefficient as log(Kow)
| Value | Source or prediction |
|---|---|
| 1.54 |
experimental value |
| 1.0953 |
Tab2.Model_17: (B)TAZ logKow (Training set) |