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: | t344 | |
|---|---|---|
| Name: | 3,3'-dichloro-4,4'-diaminodiphenylmethane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 101-14-4 | |
| InChi Code: | InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.24 |
experimental value |
| 2.2526 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.2526 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5020865 | US EPA CompTox Dashboard |