Molecule ID: mol15206
SMILES: CC(O)C(=O)C1=Nc2c(O)nc(N)nc2NC1
InChI: InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.45 | Datawarrior | 2 » 1 |
| 1.45 | OCHEM | 2 » 1 |
| 10.06 | Datawarrior | 0 » -1 |
| 10.06 | OCHEM | 0 » -1 |