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: | 818 | |
|---|---|---|
| Name: | N-(3-methylphenyl)ethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Methylacetanilide | |
| Labels: | ||
| CAS: | 537-92-8 | |
| InChi Code: | InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.45 |
experimental value |
| 1.9333 |
Tab2.Model_2: logKoc (Training set) |