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: | t107 | |
|---|---|---|
| Name: | p-t-butyl benzoic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 98-73-7 | |
| InChi Code: | InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.21 |
experimental value |
| 1.2274 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.2274 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |