Molecule ID: mol4742
SMILES: Cc1nc2nc(N)nc(C)c2nc1C
InChI: InChI=1S/C9H11N5/c1-4-5(2)12-8-7(11-4)6(3)13-9(10)14-8/h1-3H3,(H2,10,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.99 | IUPAC digitized pKa | 1 » 0 |
| 3.03 | AttenGpKa training set | 1 » 0 |