Molecule ID: mol9070
SMILES: NCCC(=O)NO
InChI: InChI=1S/C3H8N2O2/c4-2-1-3(6)5-7/h7H,1-2,4H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | IUPAC digitized pKa | 1 » 0 |
| 7.90 | QSARToolbox | 1 » 0 |
| 7.90 | QSARToolbox | 1 » 0 |
| 8.38 | AttenGpKa training set | 1 » 0 |
| 9.59 | AttenGpKa training set | 0 » -1 |