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: | 756 | |
|---|---|---|
| Name: | tetrachlorocyclohexa-2,5-diene-1,4-dione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chloranil | |
| Labels: | ||
| CAS: | 118-75-2 | |
| InChi Code: | InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.32 |
experimental value |
| 1.7296 |
Tab2.Model_2: logKoc (Training set) |