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: | t404 | |
|---|---|---|
| Name: | 2h-1,2,4-triazol-3-amine | |
| Description: | ||
| Labels: | Training | |
| CAS: | 61-82-5 | |
| InChi Code: | InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.49 |
experimental value |
| -0.3408 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| -0.3408 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |