Molecule ID: mol9157
SMILES: Cn1ncc(=O)[nH]c1=O
InChI: InChI=1S/C4H5N3O2/c1-7-4(9)6-3(8)2-5-7/h2H,1H3,(H,6,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.99 | IUPAC digitized pKa | 0 » -1 |
| 6.99 | IUPAC digitized pKa | 0 » -1 |
| 6.99 | AttenGpKa training set | 0 » -1 |