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: | p85 | |
|---|---|---|
| Name: | 2,6-di-tert-butyl-p-cresol | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 128-37-0 | |
| InChi Code: | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.03 |
experimental value |
| 2.0927 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 2.0927 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020216 | US EPA CompTox Dashboard |