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:	233
	Name:	4-[(2E)-3-(4-hydroxyphenyl)but-2-en-2-yl]phenol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Dimethylstilbestrol
	Labels:
	CAS:	552-80-7
	InChi Code:	InChI=1S/C16H16O2/c1-11(13-3-7-15(17)8-4-13)12(2)14-5-9-16(18)10-6-14/h3-10,17-18H,1-2H3/b12-11+

Properties

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

Value	Source or prediction
1.16	experimental value
-0.1589	Tab2.Model_4: EDC estrogen receptor binding (Training set)