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: | e535 | |
|---|---|---|
| Name: | 1,2,3-trichloro-4,5-dimethoxybenzene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 16766-29-3 | |
| InChi Code: | InChI=1S/C8H7Cl3O2/c1-12-5-3-4(9)6(10)7(11)8(5)13-2/h3H,1-2H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.50 |
experimental value |
| 1.8232 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70168343 | US EPA CompTox Dashboard |