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: | t471 | |
|---|---|---|
| Name: | 2-chloro-5-((2-hydroxy-1-naphthyl)azo)toluene-4-sulphonic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 15958-19-7 | |
| InChi Code: | InChI=1S/C17H13ClN2O4S/c1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21/h2-9,21H,1H3,(H,22,23,24) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.07 |
experimental value |
| 1.8401 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.8401 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |