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: | 619 | |
|---|---|---|
| Name: | 1,2,3,4,6,7,8-heptachlorooxanthrene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.4.6.7.8-Heptachlorodibenzo-p-dioxin | |
| Labels: | ||
| CAS: | 35822-46-9 | |
| InChi Code: | InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H |
Properties
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 3.01329 |
experimental value |
| 3.486 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.210825461 |
experimental value |
| 2.1491 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1052034 | US EPA CompTox Dashboard |