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: | 801 | |
|---|---|---|
| Name: | [(R)-2-[(dimethylphosphoryl)sulfanyl]ethanesulfinyl]ethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Oxydemeton-Methyl | |
| Labels: | ||
| CAS: | 301-12-2 | |
| InChi Code: | InChI=1S/C6H15O2PS2/c1-4-11(8)6-5-10-9(2,3)7/h4-6H2,1-3H3/t11-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.05 |
experimental value |
| 1.8447 |
Tab2.Model_2: logKoc (Training set) |