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: | t125 | |
|---|---|---|
| Name: | methyl-5-norbornene-2,3-dicarboxylic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 50853-70-8 | |
| InChi Code: | InChI=1S/C10H12O4/c1-4-2-5-3-6(4)8(10(13)14)7(5)9(11)12/h2,5-8H,3H2,1H3,(H,11,12)(H,13,14) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.74 |
experimental value |
| 0.0083 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 0.0083 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |