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:1544
Name:2-methylnaphthalene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Methylnaphthalenes
Labels:
CAS:
InChi Code:InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.020825461

experimental value

0.1865

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

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