Molecule ID: mol17414
SMILES: O=S(=O)(Cc1ccccc1)c1nc(O)n[nH]1
InChI: InChI=1S/C9H9N3O3S/c13-8-10-9(12-11-8)16(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.79 | OCHEM | 0 » -1 |
| 4.79 | Baltruschat ChEMBL | 0 » -1 |