Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.
Compound
| ID: | t118 | |
|---|---|---|
| Name: | 2,6-dicyclohexylphenol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 4821-19-6 | |
| InChi Code: | InChI=1S/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h7,12-15,19H,1-6,8-11H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.89 |
experimental value |
| 2.5650 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.5650 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID60197465 | US EPA CompTox Dashboard |