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:	311
	Name:	(2S)-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3'-hydroxyflavanone
	Labels:
	CAS:	1621-55-2
	InChi Code:	InChI=1S/C15H12O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15-16H,9H2/t15-/m0/s1

Properties

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

Value	Source or prediction
-2.78	experimental value
-2.8558	Tab2.Model_4: EDC estrogen receptor binding (Training set)