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: | 152 | |
|---|---|---|
| Name: | 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-[3-(trifluoromethyl)phenoxy]nicotinic acid | |
| Labels: | ||
| CAS: | 36701-89-0 | |
| InChi Code: | InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19) |
Properties
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.21 |
experimental value |
| 3.8679 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |