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:1516
Name:5,10-dichloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.6-dichlorodibenzofuran
Labels:
CAS:74918-40-4
InChi Code:InChI=1S/C12H6Cl2O/c13-7-4-5-8-9-2-1-3-10(14)12(9)15-11(8)6-7/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.580825461

experimental value

0.5742

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