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: | t350 | |
|---|---|---|
| Name: | 1-aminoanthraquinone | |
| Description: | ||
| Labels: | Training | |
| CAS: | 82-45-1 | |
| InChi Code: | InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.98 |
experimental value |
| 1.2890 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.2890 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2052572 | US EPA CompTox Dashboard |