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: | 833 | |
|---|---|---|
| Name: | trichloroethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Trichloroacetamide | |
| Labels: | ||
| CAS: | 594-65-0 | |
| InChi Code: | InChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0.99 |
experimental value |
| 1.1808 |
Tab2.Model_2: logKoc (Training set) |