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:1215
Name:2-chloro-9,10-dihydroanthracene-9,10-dione
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 9.10-Anthracenedione. 2-chloro-
Labels:
CAS:131-09-9
InChi Code:InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.364174539

experimental value

0.0424

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