Molecule ID: mol14740
SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChI: InChI=1S/C13H12N2O4S/c16-15(17)12-6-8-13(9-7-12)20(18,19)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.07 | QSARToolbox | 0 » -1 |
| 10.07 | Datawarrior | 0 » -1 |
| 10.07 | OCHEM | 0 » -1 |
| 10.10 | QSARToolbox | 0 » -1 |
| 10.35 | AttenGpKa training set | 0 » -1 |