Molecule ID: mol15224
SMILES: Cc1nnc(NS(=O)(=O)c2ccc(O)cc2)s1
InChI: InChI=1S/C9H9N3O3S2/c1-6-10-11-9(16-6)12-17(14,15)8-4-2-7(13)3-5-8/h2-5,13H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.37 | OCHEM | 0 » -1 |
| 5.37 | Datawarrior | 0 » -1 |
| 8.81 | Datawarrior | -1 » -2 |