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: | t359 | |
|---|---|---|
| Name: | 2,4,6-triamino-1,3,5-triazine | |
| Description: | ||
| Labels: | Training | |
| CAS: | 108-78-1 | |
| InChi Code: | InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.58 |
experimental value |
| -0.1772 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| -0.1772 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020802 | US EPA CompTox Dashboard |