Molecule ID: mol15225
SMILES: O=S(=O)(Nc1ncccn1)c1ccc(O)cc1
InChI: InChI=1S/C10H9N3O3S/c14-8-2-4-9(5-3-8)17(15,16)13-10-11-6-1-7-12-10/h1-7,14H,(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.37 | OCHEM | 0 » -1 |
| 6.37 | Datawarrior | 0 » -1 |
| 9.00 | Datawarrior | -1 » -2 |