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: | e382 | |
|---|---|---|
| Name: | 2,4,5-trichloroaniline | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 636-30-6 | |
| InChi Code: | InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.33 |
experimental value |
| 1.7381 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 1.7381 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5044152 | US EPA CompTox Dashboard |