Molecule ID: mol4746
SMILES: CN(C)c1nc2c(c(C(=O)O)n1)N=C(O)CN2
InChI: InChI=1S/C9H11N5O3/c1-14(2)9-12-6(8(16)17)5-7(13-9)10-3-4(15)11-5/h3H2,1-2H3,(H,11,15)(H,16,17)(H,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.57 | IUPAC digitized pKa | 1 » 0 |
| 7.31 | IUPAC digitized pKa | -1 » -2 |
| 7.31 | IUPAC digitized pKa | -1 » -2 |