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:	237
	Name:	4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Monomethyl ether hexestrol
	Labels:
	CAS:	13026-26-1
	InChi Code:	InChI=1S/C19H24O2/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-20H,4-5H2,1-3H3/t18-,19+/m1/s1

Properties

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

Value	Source or prediction
0.97	experimental value
1.0162	Tab2.Model_4: EDC estrogen receptor binding (Training set)