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: | p142 | |
|---|---|---|
| Name: | 7,12?dihydrotetraphene?7,12?dione | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 2498-66-0 | |
| InChi Code: | InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.69 |
experimental value |
| 2.3379 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 2.3379 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |