Molecule ID: mol11020
SMILES: O=C(O)c1nc(O)nc2c1CCCC2
InChI: InChI=1S/C9H10N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.82 | IUPAC digitized pKa | 1 » 0 |
| 3.36 | IUPAC digitized pKa | 0 » -1 |
| 10.38 | IUPAC digitized pKa | -1 » -2 |