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: | 998 | |
|---|---|---|
| Name: | 1-(3-{[hydroxy(methoxy)methylidene]amino}phenoxy)-N-(3-methylphenyl)methanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenmedipham | |
| Labels: | ||
| CAS: | 13684-63-4 | |
| InChi Code: | InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.38 |
experimental value |
| 2.8962 |
Tab2.Model_2: logKoc (Training set) |