Molecule ID: mol8030
SMILES: CC(=O)Nc1ncc2ncc(O)nc2n1
InChI: InChI=1S/C8H7N5O2/c1-4(14)11-8-10-2-5-7(13-8)12-6(15)3-9-5/h2-3H,1H3,(H2,10,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.12 | IUPAC digitized pKa | 1 » 0 |
| 6.79 | IUPAC digitized pKa | 0 » -1 |