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: | 1477 | |
|---|---|---|
| Name: | 2,4-dichloro-1-(4-chlorophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.4.4'-Trichlorodiphenyl ether | |
| Labels: | ||
| CAS: | 59039-21-3 | |
| InChi Code: | InChI=1S/C12H7Cl3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.720825461 |
experimental value |
| 1.3454 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |