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: | t84 | |
|---|---|---|
| Name: | 2,4-di-tert-butylphenol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 96-76-4 | |
| InChi Code: | InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.39 |
experimental value |
| 1.8987 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.8987 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2026602 | US EPA CompTox Dashboard |