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: | 674 | |
|---|---|---|
| Name: | 2-(naphthalen-1-yl)ethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Naphthalene acetamide | |
| Labels: | ||
| CAS: | 86-86-2 | |
| InChi Code: | InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2 |
experimental value |
| 2.5337 |
Tab2.Model_2: logKoc (Training set) |