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: | 1507 | |
|---|---|---|
| Name: | 1,2,4-trichloro-5-(2,4,5-trichlorophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.4.4'.5.5'-Hexachlorodiphenylether | |
| Labels: | ||
| CAS: | 71859-30-8 | |
| InChi Code: | InChI=1S/C12H4Cl6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.980825461 |
experimental value |
| 1.9025 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |