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:1254
Name:2-methylanthracene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Methyl anthracene
Labels:
CAS:613-12-7
InChi Code:InChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.019174539

experimental value

0.359

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

Links to External Resources