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: | 102 | |
|---|---|---|
| Name: | 1H-1,2,3-triazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,2,3-Triazole | |
| Labels: | ||
| CAS: | 288-36-8 | |
| InChi Code: | InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5) |
Properties
M17.logKow: The octanol-water partition coefficient as log(Kow)
| Value | Source or prediction |
|---|---|
| -0.29 |
experimental value |
| 0.0304 |
Tab2.Model_17: (B)TAZ logKow (Training set) |