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: | p86 | |
|---|---|---|
| Name: | 2,4,6-tri-tert-butylphenol | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 732-26-3 | |
| InChi Code: | InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 4.14 |
experimental value |
| 2.4138 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021311 | US EPA CompTox Dashboard |