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: | t129 | |
|---|---|---|
| Name: | 4,5-dichloronaphtalene-1,8-dicarboxylic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 7267-11-0 | |
| InChi Code: | InChI=1S/C12H6Cl2O4/c13-7-3-1-5(11(15)16)9-6(12(17)18)2-4-8(14)10(7)9/h1-4H,(H,15,16)(H,17,18) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.18 |
experimental value |
| 1.2608 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.2608 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |