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: | 810 | |
|---|---|---|
| Name: | N-[3-(trifluoromethyl)phenyl]ethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Trifluoromethylacetanilide | |
| Labels: | ||
| CAS: | 351-36-0 | |
| InChi Code: | InChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.75 |
experimental value |
| 1.9905 |
Tab2.Model_2: logKoc (Training set) |