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: | p338 | |
|---|---|---|
| Name: | n-(3,4-dichlorophenyl)-n'-methoxy-n'-methyl urea | |
| Description: | ||
| Labels: | Validation, 1 | |
| CAS: | 330-55-2 | |
| InChi Code: | InChI=1S/C9H10Cl2N2O2/c1-13(15-2)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 |
|---|---|
| 1.26 |
experimental value |
| 1.2215 |
Tab2: Multilinear model for diverse chemicals (External validation set 1) |
| 1.2215 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1) |