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: | 532 | |
|---|---|---|
| Name: | (E)-[2-methyl-2-(methylsulfanyl)propylidene][(methyl-C-hydroxycarbonimidoyl)oxy]amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Aldicarb | |
| Labels: | ||
| CAS: | 116-06-3 | |
| InChi Code: | InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+ |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.57 |
experimental value |
| 1.9708 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 0.3218 |
experimental value |
| -1.4462 |
Tab2.Model_3: Global half-life index (Training set) |