Molecule ID: mol8240
SMILES: CC(=O)Nc1nc(O)c2nc(C)n(C)c2n1
InChI: InChI=1S/C9H11N5O2/c1-4-10-6-7(14(4)3)12-9(11-5(2)15)13-8(6)16/h1-3H3,(H2,11,12,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.17 | IUPAC digitized pKa | 1 » 0 |
| 8.93 | IUPAC digitized pKa | 0 » -1 |