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: | 3 | |
|---|---|---|
| Name: | 2-(1H-1,2,4-triazol-1-yl)acetic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1H-1,2,3-Triazole-1-acetic acid | |
| Labels: | ||
| CAS: | 4314-22-1 | |
| InChi Code: | InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.1 |
experimental value |
| 3.1496 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |