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: | 89 | |
|---|---|---|
| Name: | N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboximidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Picolinafen | |
| Labels: | ||
| CAS: | 137641-05-5 | |
| InChi Code: | InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.92 |
experimental value |
| 5.9708 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 5.74 |
experimental value |
| 4.7669 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |