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: | 1523 | |
|---|---|---|
| Name: | 1,3,5-trichloro-2-(2,4,5-trichlorophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.4.4'.5.6'-Hexachlorodiphenylether | |
| Labels: | ||
| CAS: | 106220-81-9 | |
| InChi Code: | InChI=1S/C12H4Cl6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.010825461 |
experimental value |
| 1.8941 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID20147547 | US EPA CompTox Dashboard |