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: | 885 | |
|---|---|---|
| Name: | N-phenylbutanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Butyranilide | |
| Labels: | ||
| CAS: | 1129-50-6 | |
| InChi Code: | InChI=1S/C10H13NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.71 |
experimental value |
| 1.9705 |
Tab2.Model_2: logKoc (Training set) |