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:1155
Name:4,4'-dibromo-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 4.4'-dibromobiphenyl
Labels:
CAS:92-86-4
InChi Code:InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.570825461

experimental value

1.095

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

Links to External Resources