Molecule ID: mol4760
SMILES: OC1=Nc2nccnc2CN1
InChI: InChI=1S/C6H6N4O/c11-6-9-3-4-5(10-6)8-2-1-7-4/h1-2H,3H2,(H2,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | IUPAC digitized pKa | 2 » 1 |
| 0.00 | AttenGpKa training set | 2 » 1 |
| 12.60 | IUPAC digitized pKa | 0 » -1 |
| 12.60 | AttenGpKa training set | 0 » -1 |