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: | p454 | |
|---|---|---|
| Name: | 2-aminonaphthalene-1-sulfonic acid | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 81-16-3 | |
| InChi Code: | InChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.78 |
experimental value |
| 0.8716 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 0.8716 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7020922 | US EPA CompTox Dashboard |