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: | t436 | |
|---|---|---|
| Name: | m-nitrobenzene sulfonic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 98-47-5 | |
| InChi Code: | InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.7 |
experimental value |
| 1.2456 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.2456 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |