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: | 621 | |
|---|---|---|
| Name: | octachloro-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: 1.2.3.4.5.6.7.8-octachlorodibenzofuran | |
| Labels: | ||
| CAS: | 39001-02-0 | |
| InChi Code: | InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15 |
Properties
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 3.35341 |
experimental value |
| 3.9396 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.220825461 |
experimental value |
| 1.1578 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |