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:	273
	Name:	1-methoxy-4-[(3E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Diethylstilbestrol dimethyl ether
	Labels:
	CAS:	7773-34-4
	InChi Code:	InChI=1S/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3/b20-19+

Properties

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

Value	Source or prediction
-1.25	experimental value
-0.2941	Tab2.Model_4: EDC estrogen receptor binding (Training set)