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: | 894 | |
|---|---|---|
| Name: | (E)-{2-[(R)-methanesulfinyl]-2-methylpropylidene}[(methyl-C-hydroxycarbonimidoyl)oxy]amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Aldicarb sulfoxide | |
| Labels: | ||
| CAS: | 1646-87-3 | |
| InChi Code: | InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+/t13-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0.56 |
experimental value |
| 1.6179 |
Tab2.Model_2: logKoc (Training set) |