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: | 1518 | |
|---|---|---|
| Name: | 1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.4.4'.5.5'-Heptachlorodiphenylether | |
| Labels: | ||
| CAS: | 83992-69-2 | |
| InChi Code: | InChI=1S/C12H3Cl7O/c13-4-1-6(15)8(2-5(4)14)20-9-3-7(16)10(17)12(19)11(9)18/h1-3H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.970825461 |
experimental value |
| 2.0814 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID30232872 | US EPA CompTox Dashboard |