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: | 874 | |
|---|---|---|
| Name: | dimethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}phosphonate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Demeton-S-methyl | |
| Labels: | ||
| CAS: | 919-86-8 | |
| InChi Code: | InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.49 |
experimental value |
| 1.7573 |
Tab2.Model_2: logKoc (Training set) |