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:263
Name:2',3',4',5'-tetrachloro-[1,1'-biphenyl]-4-ol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,4,5-Tetrachloro-4'-biphenylol
Labels:
CAS:67651-34-7
InChi Code:InChI=1S/C12H6Cl4O/c13-9-5-8(10(14)12(16)11(9)15)6-1-3-7(17)4-2-6/h1-5,17H

Properties

M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)

ValueSource or prediction
-0.64

experimental value

-1.666

Tab2.Model_4: EDC estrogen receptor binding (Training set)