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: | t301 | |
|---|---|---|
| Name: | 3,4-dichloroaniline | |
| Description: | ||
| Labels: | Training | |
| CAS: | 95-76-1 | |
| InChi Code: | InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.94 |
experimental value |
| 1.3885 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.3885 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021815 | US EPA CompTox Dashboard |