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: | 168 | |
|---|---|---|
| Name: | 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-chloro-5-trifluoromethyl-pyridine-2-carboxylic acid | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14) |
Properties
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.35 |
experimental value |
| 3.2749 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |