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: | e539 | |
|---|---|---|
| Name: | 1,3,5-trichloro-2-nitrobenzene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 18708-70-8 | |
| InChi Code: | InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.52 |
experimental value |
| 2.3987 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 2.3987 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0026204 | US EPA CompTox Dashboard |