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:1352
Name:4-ethyl-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-ethylbiphenyl
Labels:
CAS:5707-44-8
InChi Code:InChI=1S/C14H14/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-11H,2H2,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.064158761

experimental value

0.8807

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

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