Molecule ID: mol9373
SMILES: Cn1c(=O)cc[nH]c1=O
InChI: InChI=1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.35 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | AttenGpKa training set | 0 » -1 |
| 9.90 | QSARToolbox | 0 » -1 |
| 9.90 | QSARToolbox | 0 » -1 |
| 9.94 | Datawarrior | 0 » -1 |
| 10.00 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | QSARToolbox | 0 » -1 |