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: | 825 | |
|---|---|---|
| Name: | O,O-diethyl [({[diethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}methyl)sulfanyl]phosphonothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethion | |
| Labels: | ||
| CAS: | 563-12-2 | |
| InChi Code: | InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.13 |
experimental value |
| 3.7913 |
Tab2.Model_2: logKoc (Training set) |