Molecule ID: mol17413
SMILES: [O-][S+](Cc1ccccc1)c1nc(O)n[nH]1
InChI: InChI=1S/C9H9N3O2S/c13-8-10-9(12-11-8)15(14)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | OCHEM | 0 » -1 |
| 5.20 | Baltruschat ChEMBL | 0 » -1 |