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: | 110 | |
|---|---|---|
| Name: | 3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 8-Azahypoxanthine | |
| Labels: | ||
| CAS: | 2683-90-1 | |
| InChi Code: | InChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10) |
Properties
M17.logKow: The octanol-water partition coefficient as log(Kow)
| Value | Source or prediction |
|---|---|
| -1.97 |
experimental value |
| -1.1443 |
Tab2.Model_17: (B)TAZ logKow (Training set) |