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: | 1415 | |
|---|---|---|
| Name: | 2,3,3',4,4'-pentachloro-1,1'-biphenyl | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.3'.4.4'-Pentachlorobiphenyl (PCB 105) | |
| Labels: | ||
| CAS: | 32598-14-4 | |
| InChi Code: | InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.059158761 |
experimental value |
| 2.1063 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8038306 | US EPA CompTox Dashboard |