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: | 1484 | |
|---|---|---|
| Name: | 2,2',3,4,4',5,6'-heptachloro-1,1'-biphenyl | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.4.4'.5.6'-heptachlorobiphenyl (PCB 182) | |
| Labels: | ||
| CAS: | 60145-23-5 | |
| InChi Code: | InChI=1S/C12H3Cl7/c13-4-1-6(14)9(7(15)2-4)5-3-8(16)11(18)12(19)10(5)17/h1-3H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.507492161 |
experimental value |
| 2.4874 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9074191 | US EPA CompTox Dashboard |