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: | 928 | |
|---|---|---|
| Name: | N-(3,4-dichlorophenyl)ethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,4-Dichloroacetanilide | |
| Labels: | ||
| CAS: | 2150-93-8 | |
| InChi Code: | InChI=1S/C8H7Cl2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.34 |
experimental value |
| 2.2223 |
Tab2.Model_2: logKoc (Training set) |