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:	285
	Name:	(2R)-2-ethylhexyl 4-hydroxybenzoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Ethylhexyl-4-hydroxybenzoate
	Labels:
	CAS:	5153-25-3
	InChi Code:	InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3/t12-/m1/s1

Properties

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

Value	Source or prediction
-1.74	experimental value
-1.4186	Tab2.Model_4: EDC estrogen receptor binding (Training set)