Molecule ID: mol8039
SMILES: COc1nc(N)nc2c1nc(C(=O)O)c(=O)n2C
InChI: InChI=1S/C9H9N5O4/c1-14-5-3(6(18-2)13-9(10)12-5)11-4(7(14)15)8(16)17/h1-2H3,(H,16,17)(H2,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.40 | IUPAC digitized pKa | 1 » 0 |
| 3.36 | IUPAC digitized pKa | 0 » -1 |