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:1342
Name:3,3',4,4'-tetramethyl-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.3'.4.4' tetramethyl 1.1'-biphenyl
Labels:
CAS:4920-95-0
InChi Code:InChI=1S/C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.009174539

experimental value

1.0833

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

Links to External Resources