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: | t121 | |
|---|---|---|
| Name: | 2,2'-methylenebis(3,4,6-trichlorophenol) | |
| Description: | ||
| Labels: | Training | |
| CAS: | 70-30-4 | |
| InChi Code: | InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.07 |
experimental value |
| 3.0508 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.0508 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020690 | US EPA CompTox Dashboard |