Molecule ID: mol4722
SMILES: Cc1nc2c(N)nc(=O)n(C)c2nc1C
InChI: InChI=1S/C9H11N5O/c1-4-5(2)12-8-6(11-4)7(10)13-9(15)14(8)3/h1-3H3,(H2,10,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | IUPAC digitized pKa | 1 » 0 |
| 3.62 | IUPAC digitized pKa | 1 » 0 |
| 3.66 | AttenGpKa training set | 1 » 0 |