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: | 977 | |
|---|---|---|
| Name: | N-(3-chloro-4-methoxyphenyl)ethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Chloro-4-methoxyacetanilide | |
| Labels: | ||
| CAS: | 7073-42-9 | |
| InChi Code: | InChI=1S/C9H10ClNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.95 |
experimental value |
| 2.2883 |
Tab2.Model_2: logKoc (Training set) |