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: | t437 | |
|---|---|---|
| Name: | 2-chloro-5-nitrobenzenesulfonic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 96-73-1 | |
| InChi Code: | InChI=1S/C6H4ClNO5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,(H,11,12,13) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.48 |
experimental value |
| 1.5149 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.5149 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3059137 | US EPA CompTox Dashboard |