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: | 932 | |
|---|---|---|
| Name: | octachloronaphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Octachloronaphthalene | |
| Labels: | ||
| CAS: | 2234-13-1 | |
| InChi Code: | InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 5.89 |
experimental value |
| 5.3179 |
Tab2.Model_2: logKoc (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.620825461 |
experimental value |
| 1.7771 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6025800 | US EPA CompTox Dashboard |