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:1333
Name:1,10-dibromodecane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2-dibromodecane
Labels:
CAS:4101-68-2
InChi Code:InChI=1S/C10H20Br2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.469174539

experimental value

0.9352

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

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