Molecule ID: mol11786
SMILES: Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChI: InChI=1S/C12H11N3O4S/c13-9-1-7-12(8-2-9)20(18,19)14-10-3-5-11(6-4-10)15(16)17/h1-8,14H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.89 | AttenGpKa training set | 0 » -1 |
| 6.97 | IUPAC digitized pKa | 0 » -1 |