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: | p467 | |
|---|---|---|
| Name: | 3-nitro-n-phenyl-4-(phenylamino)benzenesulfonamide | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 5124-25-4 | |
| InChi Code: | InChI=1S/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.61 |
experimental value |
| 2.0679 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 2.0679 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8052148 | US EPA CompTox Dashboard |