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: | 1493 | |
|---|---|---|
| Name: | 3,4,5,6,10,11,12-heptachloro-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: 1.2.3.4.6.7.8-heptachlorodibenzofuran | |
| Labels: | ||
| CAS: | 67562-39-4 | |
| InChi Code: | InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.900825461 |
experimental value |
| 1.4081 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |