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: | 808 | |
|---|---|---|
| Name: | methyl (2E)-3-[(dimethoxyphosphoryl)oxy]but-2-enoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Mevinphos(trans) | |
| Labels: | ||
| CAS: | 338-45-4 | |
| InChi Code: | InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+ |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.97 |
experimental value |
| 0.8978 |
Tab2.Model_2: logKoc (Training set) |