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: | 1077 | |
|---|---|---|
| Name: | 5,6-dimethyl-2,3-dihydro-1λ⁶,4λ⁶-dithiine-1,1,4,4-tetrone | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dimethipin | |
| Labels: | ||
| CAS: | 55290-64-7 | |
| InChi Code: | InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 0.48 |
experimental value |
| 1.0247 |
Tab2.Model_2: logKoc (Training set) |