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: | 1474 | |
|---|---|---|
| Name: | 3,4,5,10,11,12-hexachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.6.7.8-hexachlorodibenzofuran | |
| Labels: | ||
| CAS: | 57117-44-9 | |
| InChi Code: | InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.000825461 |
experimental value |
| 1.2661 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |