Li, F.; Wu, H.; Li, L.; Li, X.; Zhao, J.; Peijnenburg, W. J. G. M. Docking and QSAR study on the binding interactions between polycyclic aromatic hydrocarbons and estrogen receptor. Ecotoxicology and Environmental Safety 2012, 80, 273 - 279.
Compound
| ID: | 4-OHCh | |
|---|---|---|
| Name: | 4-hydroxychrysene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C18H12O/c19-17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11,19H |
Properties
logRBA: Relative binding affinity to hERa i
| Value | Source or prediction |
|---|---|
| -1.921 |
experimental value |
| -1.563 |
PLS: Model for polycyclic aromatic hydrocarbons (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID00212267 | US EPA CompTox Dashboard |