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: | e363 | |
|---|---|---|
| Name: | cis-1,2-cyclohexanedicarboxylic acid | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 610-09-3 | |
| InChi Code: | InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| -0.20 |
experimental value |
| -0.0847 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| -0.0847 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |