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 |