Molecule ID: mol14814
SMILES: Cc1nc2c(n1C)C(=O)c1ncnc(O)c1C2=O
InChI: InChI=1S/C11H8N4O3/c1-4-14-7-8(15(4)2)10(17)6-5(9(7)16)11(18)13-3-12-6/h3H,1-2H3,(H,12,13,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.15 | Datawarrior | 2 » 1 |
| 1.15 | OCHEM | 2 » 1 |
| 6.15 | Datawarrior | 0 » -1 |
| 6.15 | OCHEM | 0 » -1 |