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: | t393 | |
|---|---|---|
| Name: | n,n-diethyl-m-toluamide | |
| Description: | ||
| Labels: | Training | |
| CAS: | 134-62-3 | |
| InChi Code: | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.38 |
experimental value |
| 1.0363 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.0363 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021995 | US EPA CompTox Dashboard |