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:301
Name:4-(4-hydroxybenzoyl)phenol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,4'-Dihydoxy-benzophenone
Labels:
CAS:611-99-4
InChi Code:InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H

Properties

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

ValueSource or prediction
-2.46

experimental value

-2.0723

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