Molecule ID: mol18831
SMILES: Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChI: InChI=1S/C13H12N2O4S/c1-10-5-7-13(8-6-10)20(18,19)14-11-3-2-4-12(9-11)15(16)17/h2-9,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.27 | OCHEM | 0 » -1 |
| 8.27 | OCHEM | 0 » -1 |
| 8.27 | Baltruschat ChEMBL | 0 » -1 |