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: | t463 | |
|---|---|---|
| Name: | 2-amino-8-naphthol-6-sulfonic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 90-51-7 | |
| InChi Code: | InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.61 |
experimental value |
| 0.5660 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 0.5660 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |