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: | 994 | |
|---|---|---|
| Name: | (2E)-2-chloro-3-[(dimethoxyphosphoryl)oxy]-N,N-diethylbut-2-enamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosphamidon | |
| Labels: | ||
| CAS: | 13171-21-6 | |
| InChi Code: | InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8+ |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0.85 |
experimental value |
| 1.7005 |
Tab2.Model_2: logKoc (Training set) |