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: | 997 | |
|---|---|---|
| Name: | 1-(3-{[ethoxy(hydroxy)methylidene]amino}phenoxy)-N-phenylmethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Desmedipham | |
| Labels: | ||
| CAS: | 13684-56-5 | |
| InChi Code: | InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.24 |
experimental value |
| 2.8523 |
Tab2.Model_2: logKoc (Training set) |