Molecule ID: mol4740
SMILES: Cc1nc(N)c2nccnc2n1
InChI: InChI=1S/C7H7N5/c1-4-11-6(8)5-7(12-4)10-3-2-9-5/h2-3H,1H3,(H2,8,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | IUPAC digitized pKa | 1 » 0 |
| 4.30 | AttenGpKa training set | 1 » 0 |