Molecule ID: mol3087
SMILES: CC(=O)NCCN
InChI: InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.05 | IUPAC digitized pKa | 1 » 0 |
| 9.15 | OCHEM | 1 » 0 |
| 9.25 | IUPAC digitized pKa | 1 » 0 |
| 9.25 | QSARToolbox | 1 » 0 |
| 9.28 | OCHEM | 1 » 0 |
| 9.28 | Datawarrior | 1 » 0 |
| 9.28 | AttenGpKa training set | 1 » 0 |
| 9.50 | QSARToolbox | 1 » 0 |