Molecule ID: mol18852
SMILES: Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChI: InChI=1S/C13H12N2O4S/c1-10-5-7-11(8-6-10)14-20(18,19)13-4-2-3-12(9-13)15(16)17/h2-9,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | OCHEM | 0 » -1 |
| 7.80 | OCHEM | 0 » -1 |
| 7.80 | Baltruschat ChEMBL | 0 » -1 |