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: | 1462 | |
|---|---|---|
| Name: | 2,2',3,3',4,5,5',6'-octachloro-1,1'-biphenyl | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.3'.4.5.5'.6'-octachlorobiphenyl (PCB 199) | |
| Labels: | ||
| CAS: | 52663-75-9 | |
| InChi Code: | InChI=1S/C12H2Cl8/c13-4-1-3(8(16)12(20)11(4)19)7-9(17)5(14)2-6(15)10(7)18/h1-2H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.474158761 |
experimental value |
| 2.6749 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2074168 | US EPA CompTox Dashboard |