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: | p421 | |
|---|---|---|
| Name: | pyridine-2,5-dicarboxylic acid | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 100-26-5 | |
| InChi Code: | InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.76 |
experimental value |
| -0.4402 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| -0.4402 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3059210 | US EPA CompTox Dashboard |