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:	271
	Name:	4-[2-(4-hydroxyphenyl)butan-2-yl]phenol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Bisphenol B
	Labels:
	CAS:	77-40-7
	InChi Code:	InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3

Properties

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

Value	Source or prediction
-1.07	experimental value
-1.013	Tab2.Model_4: EDC estrogen receptor binding (Training set)