Molecule ID: mol9185
SMILES: CN1CC(=O)NC1=O
InChI: InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.09 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | AttenGpKa training set | 0 » -1 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 11.40 | QSARToolbox | 0 » -1 |
| 11.40 | Datawarrior | 0 » -1 |
| 11.40 | OCHEM | 0 » -1 |