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: | t81 | |
|---|---|---|
| Name: | p-sec-butylphenol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 99-71-8 | |
| InChi Code: | InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.31 |
experimental value |
| 1.4266 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.4266 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |