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: | p399 | |
|---|---|---|
| Name: | p-(methylamino) benzoic acid | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 10541-83-0 | |
| InChi Code: | InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.38 |
experimental value |
| 0.5423 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 0.5423 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |