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: | 101 | |
|---|---|---|
| Name: | 1H-1,2,3-benzotriazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2H-Benzotriazole | |
| Labels: | ||
| CAS: | 273-02-9 | |
| InChi Code: | InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) |
Properties
M17.logKow: The octanol-water partition coefficient as log(Kow)
| Value | Source or prediction |
|---|---|
| 1.44 |
experimental value |
| 0.731 |
Tab2.Model_17: (B)TAZ logKow (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020147 | US EPA CompTox Dashboard |