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:292
Name:4'-chloro-[1,1'-biphenyl]-4-ol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Chloro-4'-biphenylol
Labels:
CAS:28034-99-3
InChi Code:InChI=1S/C12H9ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H

Properties

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

ValueSource or prediction
-2.18

experimental value

-2.2443

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