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: | p120 | |
|---|---|---|
| Name: | 2,2'-dihydroxy-5,5'-dichlorodiphenylmethane | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 97-23-4 | |
| InChi Code: | InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.28 |
experimental value |
| 1.9013 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 1.9013 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6021824 | US EPA CompTox Dashboard |