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: | 1491 | |
|---|---|---|
| Name: | N-[3-(propan-2-yloxy)phenyl]-2-(trifluoromethyl)benzene-1-carboximidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: n-[3-(1-Methylethoxy)phenyl]-2-(trifluoromethyl)benzamide | |
| Labels: | ||
| CAS: | 66332-96-5 | |
| InChi Code: | InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22) |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.609174539 |
experimental value |
| -0.0833 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |