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: | 604 | |
|---|---|---|
| Name: | octachlorooxanthrene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Octachlorodibenzo-p-dioxin | |
| Labels: | ||
| CAS: | 3268-87-9 | |
| InChi Code: | InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10 |
Properties
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 3.35341 |
experimental value |
| 3.8787 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.160825461 |
experimental value |
| 1.9267 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4025799 | US EPA CompTox Dashboard |