Molecule ID: mol4747
SMILES: CCOc1nc2c(c(C(=O)O)n1)N=C(O)CN2
InChI: InChI=1S/C9H10N4O4/c1-2-17-9-12-6(8(15)16)5-7(13-9)10-3-4(14)11-5/h2-3H2,1H3,(H,11,14)(H,15,16)(H,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.31 | IUPAC digitized pKa | 0 » -1 |