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: | t117 | |
|---|---|---|
| Name: | 4-cyclohexene-1,2-dicarboxylic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 88-98-2 | |
| InChi Code: | InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.3 |
experimental value |
| -0.0864 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| -0.0864 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |