Molecule ID: mol4181
SMILES: CN(C)c1ccnc(O)n1
InChI: InChI=1S/C6H9N3O/c1-9(2)5-3-4-7-6(10)8-5/h3-4H,1-2H3,(H,7,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.15 | IUPAC digitized pKa | 1 » 0 |
| 4.21 | IUPAC digitized pKa | 1 » 0 |
| 12.80 | IUPAC digitized pKa | 0 » -1 |