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: | 1466 | |
|---|---|---|
| Name: | 2,2',3,3',6,6'-hexachloro-1,1'-biphenyl | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.3'.5.6'-hexachlorobiphenyl | |
| Labels: | ||
| CAS: | 52744-13-5 | |
| InChi Code: | InChI=1S/C12H4Cl6/c13-5-1-3-7(15)11(17)9(5)10-6(14)2-4-8(16)12(10)18/h1-4H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.324158761 |
experimental value |
| 2.3123 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |