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: | e609 | |
|---|---|---|
| Name: | 1,2,5-trichloro-3-methoxybenzene | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 54135-81-8 | |
| InChi Code: | InChI=1S/C7H5Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.09 |
experimental value |
| 1.5315 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 1.5315 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70202478 | US EPA CompTox Dashboard |