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:	274
	Name:	1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2',4,4'-Trihydroxychalcone
	Labels:
	CAS:	961-29-5
	InChi Code:	InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H

Properties

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

Value	Source or prediction
-1.26	experimental value
-1.1636	Tab2.Model_4: EDC estrogen receptor binding (Training set)