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: | 771 | |
|---|---|---|
| Name: | 2-[(trichloromethyl)sulfanyl]-2,3-dihydro-1H-isoindole-1,3-dione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Folpet | |
| Labels: | ||
| CAS: | 133-07-3 | |
| InChi Code: | InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.27 |
experimental value |
| 2.4586 |
Tab2.Model_2: logKoc (Training set) |