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:1207
Name:1,2,3,4-tetrahydronaphthalene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Naphthalene. 1.2.3.4-tetrahydro-
Labels:
CAS:119-64-2
InChi Code:InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.750825461

experimental value

0.3408

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

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