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: | 657 | |
|---|---|---|
| Name: | hexachlorocyclopenta-1,3-diene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Hexachlorocyclopentadiene | |
| Labels: | ||
| CAS: | 77-47-4 | |
| InChi Code: | InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.17 |
experimental value |
| 3.2269 |
Tab2.Model_2: logKoc (Training set) |