Molecule ID: mol2350
SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChI: InChI=1S/C12H10N2O4S/c15-14(16)11-6-8-12(9-7-11)19(17,18)13-10-4-2-1-3-5-10/h1-9,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.66 | OCHEM | 0 » -1 |
| 7.41 | OCHEM | 0 » -1 |
| 7.41 | QSARToolbox | 0 » -1 |
| 7.41 | Datawarrior | 0 » -1 |
| 7.42 | IUPAC digitized pKa | 0 » -1 |
| 7.42 | Hunt | 0 » -1 |
| 7.42 | AttenGpKa training set | 0 » -1 |