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: | 115 | |
|---|---|---|
| Name: | 1-methyl-1H-1,2,3-benzotriazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Methyl-1H-benzotriazole | |
| Labels: | ||
| CAS: | 13351-73-0 | |
| InChi Code: | InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3 |
Properties
M17.logKow: The octanol-water partition coefficient as log(Kow)
| Value | Source or prediction |
|---|---|
| 1.13 |
experimental value |
| 1.1666 |
Tab2.Model_17: (B)TAZ logKow (Training set) |
M18.MP: Melting point [°C]
| Value | Source or prediction |
|---|---|
| 64.5 |
experimental value |
| 41.1066 |
Tab2.Model_18: (B)TAZ melting point (Training set) |