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: | 1443 | |
|---|---|---|
| Name: | 2,2',3,3',4,4',5,5',6-nonachloro-1,1'-biphenyl | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.3'.4.4'.5.5'.6-Nonachloro-1.1'-biphenyl | |
| Labels: | ||
| CAS: | 40186-72-9 | |
| InChi Code: | InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.675825461 |
experimental value |
| 2.8607 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |