Molecule ID: mol3081
SMILES: CNCC(=O)NC
InChI: InChI=1S/C4H10N2O/c1-5-3-4(7)6-2/h5H,3H2,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.24 | QSARToolbox | 1 » 0 |
| 8.24 | IUPAC digitized pKa | 1 » 0 |
| 8.24 | OCHEM | 1 » 0 |
| 8.24 | AttenGpKa training set | 1 » 0 |
| 8.28 | OCHEM | 1 » 0 |
| 8.28 | QSARToolbox | 1 » 0 |
| 8.28 | Datawarrior | 1 » 0 |