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: | t139 | |
|---|---|---|
| Name: | 2-ethylanthraquinone | |
| Description: | ||
| Labels: | Training | |
| CAS: | 84-51-5 | |
| InChi Code: | InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.83 |
experimental value |
| 1.9040 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.9040 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5044994 | US EPA CompTox Dashboard |