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: | 921 | |
|---|---|---|
| Name: | 1-[3,5-dimethyl-4-(methylsulfanyl)phenoxy]-N-methylmethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Methiocarb | |
| Labels: | ||
| CAS: | 2032-65-7 | |
| InChi Code: | InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.32 |
experimental value |
| 2.7576 |
Tab2.Model_2: logKoc (Training set) |