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:1303
Name:1-methoxynaphthalene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Naphthalene. 1-methoxy-
Labels:
CAS:2216-69-5
InChi Code:InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.390825461

experimental value

-0.034

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

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