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: | 629 | |
|---|---|---|
| Name: | N-(4-methoxyphenyl)ethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Methoxyacetanilide | |
| Labels: | ||
| CAS: | 51-66-1 | |
| InChi Code: | InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.4 |
experimental value |
| 2.0371 |
Tab2.Model_2: logKoc (Training set) |