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: | t455 | |
|---|---|---|
| Name: | 7-amino-4-hydroxy-2-naphthalenesulfonic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 87-02-5 | |
| InChi Code: | InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.38 |
experimental value |
| 0.5941 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 0.5941 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7026520 | US EPA CompTox Dashboard |