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:	287
	Name:	3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-1-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenolphthalein
	Labels:
	CAS:	77-09-8
	InChi Code:	InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H

Properties

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

Value	Source or prediction
-1.87	experimental value
-1.287	Tab2.Model_4: EDC estrogen receptor binding (Training set)