Molecule ID: mol18856
SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChI: InChI=1S/C12H9N3O6S/c16-14(17)10-4-6-12(7-5-10)22(20,21)13-9-2-1-3-11(8-9)15(18)19/h1-8,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.51 | OCHEM | 0 » -1 |
| 5.51 | OCHEM | 0 » -1 |
| 5.51 | Baltruschat ChEMBL | 0 » -1 |