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: | t122 | |
|---|---|---|
| Name: | 2,2-bis(4'-hydroxyphenyl) propane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 80-05-7 | |
| InChi Code: | InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.64 |
experimental value |
| 1.5179 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.5179 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7020182 | US EPA CompTox Dashboard |