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: | p83 | |
|---|---|---|
| Name: | 2,6-di-sec-butylphenol | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 5510-99-6 | |
| InChi Code: | InChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.55 |
experimental value |
| 1.7407 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 1.7407 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0044440 | US EPA CompTox Dashboard |