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: | 762 | |
|---|---|---|
| Name: | N-(3-nitrophenyl)ethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Nitroacetanilide The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 122-28-1 | |
| InChi Code: | InChI=1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.94 |
experimental value |
| 1.9633 |
Tab2.Model_2: logKoc (Training set) |