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:1373
Name:2,3,6,7-tetramethylanthracene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.6.7-tetramethylanthracene
Labels:
CAS:15254-25-8
InChi Code:InChI=1S/C18H18/c1-11-5-15-9-17-7-13(3)14(4)8-18(17)10-16(15)6-12(11)2/h5-10H,1-4H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.590825461

experimental value

0.6305

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

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