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:	299
	Name:	1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 4'-Hydroxychalcone
	Labels:
	CAS:	2657-25-2
	InChi Code:	InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H

Properties

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

Value	Source or prediction
-2.43	experimental value
-2.0271	Tab2.Model_4: EDC estrogen receptor binding (Training set)