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: | 1441 | |
|---|---|---|
| Name: | 2,3,3',4,4',5,5'-heptachloro-1,1'-biphenyl | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.3'.4.4'.5.5'-heptachlorobiphenyl (PCB 189) | |
| Labels: | ||
| CAS: | 39635-31-9 | |
| InChi Code: | InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.320825461 |
experimental value |
| 2.4913 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4074144 | US EPA CompTox Dashboard |