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:	344
	Name:	(2S)-7-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 7-Hydroxyflavanone
	Labels:
	CAS:	6515-36-2
	InChi Code:	InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1

Properties

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

Value	Source or prediction
-3.73	experimental value
-2.8705	Tab2.Model_4: EDC estrogen receptor binding (Training set)