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: | p395 | |
|---|---|---|
| Name: | 3-nitrophthalic acid | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 603-11-2 | |
| InChi Code: | InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.72 |
experimental value |
| 0.5991 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 0.5991 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9060528 | US EPA CompTox Dashboard |