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: | 1444 | |
|---|---|---|
| Name: | 1,2,3,7,8-pentachlorooxanthrene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.7.8-Pentachlorodibenzo-p-dioxin | |
| Labels: | ||
| CAS: | 40321-76-4 | |
| InChi Code: | InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.560825461 |
experimental value |
| 1.8034 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7052078 | US EPA CompTox Dashboard |