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: | t468 | |
|---|---|---|
| Name: | 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione | |
| Description: | ||
| Labels: | Training | |
| CAS: | 10319-14-9 | |
| InChi Code: | InChI=1S/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.08 |
experimental value |
| 1.6491 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.6491 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |