Molecule ID: mol8038
SMILES: CC(C)Oc1nc(N)nc2c1nc(C(=O)O)c(=O)n2C
InChI: InChI=1S/C11H13N5O4/c1-4(2)20-8-5-7(14-11(12)15-8)16(3)9(17)6(13-5)10(18)19/h4H,1-3H3,(H,18,19)(H2,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.76 | IUPAC digitized pKa | 2 » 1 |
| 3.53 | IUPAC digitized pKa | 1 » 0 |