Molecule ID: mol7317
SMILES: Nc1cc(S(=O)(=O)O)nc(N)n1
InChI: InChI=1S/C4H6N4O3S/c5-2-1-3(12(9,10)11)8-4(6)7-2/h1H,(H,9,10,11)(H4,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.69 | IUPAC digitized pKa | 0 » -1 |
| 4.69 | AttenGpKa training set | 0 » -1 |