Molecule ID: mol9018
SMILES: O=C1CNC(=O)N1
InChI: InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.93 | IUPAC digitized pKa | 0 » -1 |
| 9.06 | AttenGpKa training set | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | Datawarrior | 0 » -1 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | OCHEM | 0 » -1 |
| 9.15 | IUPAC digitized pKa | 0 » -1 |
| 9.16 | QSARToolbox | 0 » -1 |
| 9.16 | IUPAC digitized pKa | 0 » -1 |