Molecule ID: mol8241
SMILES: CC(=O)Nc1nc(O)c2[nH]c(C)nc2n1
InChI: InChI=1S/C8H9N5O2/c1-3-9-5-6(10-3)12-8(11-4(2)14)13-7(5)15/h1-2H3,(H3,9,10,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.12 | IUPAC digitized pKa | 1 » 0 |
| 8.62 | IUPAC digitized pKa | 0 » -1 |