Molecule ID: mol8239
SMILES: CC(=O)Nc1nc(O)c2c(n1)nc(C)n2C
InChI: InChI=1S/C9H11N5O2/c1-4-10-7-6(14(4)3)8(16)13-9(12-7)11-5(2)15/h1-3H3,(H2,11,12,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.11 | IUPAC digitized pKa | 1 » 0 |
| 8.62 | IUPAC digitized pKa | 0 » -1 |