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: | 160 | |
|---|---|---|
| Name: | 2-[(1E)-1-({[(3,5-difluorophenyl)-C-hydroxycarbonimidoyl]amino}imino)ethyl]pyridine-3-carboxylic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Diflufenzopyr | |
| Labels: | ||
| CAS: | 109293-97-2 | |
| InChi Code: | InChI=1S/C15H12F2N4O3/c1-8(13-12(14(22)23)3-2-4-18-13)20-21-15(24)19-11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H,22,23)(H2,19,21,24)/b20-8+ |
Properties
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.5 |
experimental value |
| 3.6684 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |