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:	252
	Name:	(2-{4-[(1E)-1,2-diphenylprop-1-en-1-yl]phenoxy}ethyl)diethylamine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Clomiphene
	Labels:
	CAS:	911-45-5
	InChi Code:	InChI=1S/C27H31NO/c1-4-28(5-2)20-21-29-26-18-16-25(17-19-26)27(24-14-10-7-11-15-24)22(3)23-12-8-6-9-13-23/h6-19H,4-5,20-21H2,1-3H3/b27-22+

Properties

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

Value	Source or prediction
-0.14	experimental value
-0.4169	Tab2.Model_4: EDC estrogen receptor binding (Training set)