Molecule ID: mol3070
SMILES: CNCC(N)=O
InChI: InChI=1S/C3H8N2O/c1-5-2-3(4)6/h5H,2H2,1H3,(H2,4,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.02 | AttenGpKa training set | 1 » 0 |
| 8.31 | IUPAC digitized pKa | 1 » 0 |
| 8.31 | OCHEM | 1 » 0 |
| 8.31 | QSARToolbox | 1 » 0 |
| 8.35 | Datawarrior | 1 » 0 |
| 8.35 | QSARToolbox | 1 » 0 |
| 8.35 | OCHEM | 1 » 0 |