Molecule ID: mol25752
SMILES: Nc1cc(C(=O)O)nc(N)n1
InChI: InChI=1S/C5H6N4O2/c6-3-1-2(4(10)11)8-5(7)9-3/h1H,(H,10,11)(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.35 | AttenGpKa training set | 1 » 0 |
| 7.79 | AttenGpKa training set | 0 » -1 |