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: | t470 | |
|---|---|---|
| Name: | 1-amino-2-(4-bromophenoxy)-4-hydroxyanthracene-9,10-dione | |
| Description: | ||
| Labels: | Training | |
| CAS: | 59722-76-8 | |
| InChi Code: | InChI=1S/C20H12BrNO4/c21-10-5-7-11(8-6-10)26-15-9-14(23)16-17(18(15)22)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,22H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.05 |
experimental value |
| 1.6856 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.6856 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8069351 | US EPA CompTox Dashboard |