Molecule ID: mol8053
SMILES: Cc1nc2c(O)nc(N)nc2n(C)c1=O
InChI: InChI=1S/C8H9N5O2/c1-3-7(15)13(2)5-4(10-3)6(14)12-8(9)11-5/h1-2H3,(H3,9,11,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.20 | IUPAC digitized pKa | 2 » 1 |
| 8.40 | IUPAC digitized pKa | 0 » -1 |
| 8.54 | IUPAC digitized pKa | 0 » -1 |
| 8.54 | IUPAC digitized pKa | 0 » -1 |