Molecule ID: mol12954
SMILES: Nc1nnc(S(N)(=O)=O)s1
InChI: InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.69 | Datawarrior | 0 » -1 |
| 7.69 | OCHEM | 0 » -1 |
| 10.40 | AttenGpKa training set | -1 » -2 |