Molecule ID: mol18830
SMILES: COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChI: InChI=1S/C13H12N2O5S/c1-20-12-5-7-13(8-6-12)21(18,19)14-10-3-2-4-11(9-10)15(16)17/h2-9,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.44 | OCHEM | 0 » -1 |
| 8.44 | OCHEM | 0 » -1 |
| 8.44 | Baltruschat ChEMBL | 0 » -1 |