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: | p43 | |
|---|---|---|
| Name: | perylene | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 198-55-0 | |
| InChi Code: | InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.38 |
experimental value |
| 3.9995 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 3.9995 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4047753 | US EPA CompTox Dashboard |