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:1359
Name:4-pentyl-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.1'-Biphenyl. 4-pentyl-
Labels:
CAS:7116-96-3
InChi Code:InChI=1S/C17H20/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.030825461

experimental value

1.1793

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

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