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:1201
Name:2-amino-9,10-dihydroanthracene-9,10-dione
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-aminoanthraquinone
Labels:
CAS:117-79-3
InChi Code:InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-1.059174539

experimental value

-0.9822

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