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: | 1007 | |
|---|---|---|
| Name: | (E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorfenvinphos(trans) | |
| Labels: | ||
| CAS: | 18708-86-6 | |
| InChi Code: | InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+ |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.47 |
experimental value |
| 2.8429 |
Tab2.Model_2: logKoc (Training set) |