Molecule ID: mol4803
SMILES: CN(C)c1nc(O)c2nccnc2n1
InChI: InChI=1S/C8H9N5O/c1-13(2)8-11-6-5(7(14)12-8)9-3-4-10-6/h3-4H,1-2H3,(H,10,11,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.26 | IUPAC digitized pKa | 1 » 0 |
| 2.26 | IUPAC digitized pKa | 1 » 0 |
| 7.81 | IUPAC digitized pKa | 0 » -1 |
| 7.81 | IUPAC digitized pKa | 0 » -1 |