10967/177 - QDB Compounds

QsarDB Repository

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:1403
Name:2,4-dichloro-1-(2,4-dichlorophenoxy)benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'4.4'-Tetrachlorodiphenyl ether
Labels:
CAS:28076-73-5
InChi Code:InChI=1S/C12H6Cl4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.280825461

experimental value

1.5308

Tab2.Model_5: Metab. biotransf. fish (Training set)