Furuhama, A.; Hasunuma, K.; Aoki, Y. Interspecies quantitative structure–activity–activity relationships (QSAARs) for prediction of acute aquatic toxicity of aromatic amines and phenols. SAR QSAR Environ. Res. 2015, 26, 301–323.

Compound

	ID:	Tab1_78
	Name:	1,1'-Bis(4-hydroxyphenyl)cyclohexane
	Description:	Name and SMILES structure corrected according to the data source (Name in the publication was: 4,4'-(cyclohexane-1,4-diyl)diphenol)
	Labels:
	CAS:	843-55-0
	InChi Code:	InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2

Properties

pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]

Value	Source or prediction
2.17	experimental value
2.32	Eq.3: Model for aromatic amines and phenols (fish) (Training set)

Links to External Resources

Link	Resource description
DTXSID4047963	US EPA CompTox Dashboard