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:	320
	Name:	(2S)-6-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 6-Hydroxyflavanone
	Labels:
	CAS:	4250-77-5
	InChi Code:	InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2/t15-/m0/s1

Properties

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

Value	Source or prediction
-3.05	experimental value
-2.8604	Tab2.Model_4: EDC estrogen receptor binding (Training set)