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: | 729 | |
|---|---|---|
| Name: | N-phenylethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Acetanilide | |
| Labels: | ||
| CAS: | 103-84-4 | |
| InChi Code: | InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.43 |
experimental value |
| 1.7144 |
Tab2.Model_2: logKoc (Training set) |