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: | t339 | |
|---|---|---|
| Name: | 3-(3,4-dichlorophenyl)-1,1-dimethyl urea | |
| Description: | ||
| Labels: | Training | |
| CAS: | 330-54-1 | |
| InChi Code: | InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.93 |
experimental value |
| 1.4504 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.4504 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0020446 | US EPA CompTox Dashboard |