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: | 1513 | |
|---|---|---|
| Name: | 2,3,3',4,4',6-hexachloro-1,1'-biphenyl | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.3'.4.4'.6-hexachlorobiphenyl (PCB 158) | |
| Labels: | ||
| CAS: | 74472-42-7 | |
| InChi Code: | InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-8(15)4-9(16)11(17)12(10)18/h1-4H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.574158761 |
experimental value |
| 2.2981 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8074231 | US EPA CompTox Dashboard |