Molecule ID: mol794
SMILES: O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChI: InChI=1S/C12H10N2O4S/c15-14(16)11-8-6-10(7-9-11)13-19(17,18)12-4-2-1-3-5-12/h1-9,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | QSARToolbox | 0 » -1 |
| 6.20 | IUPAC digitized pKa | 0 » -1 |
| 6.20 | Hunt | 0 » -1 |
| 6.38 | AttenGpKa training set | 0 » -1 |
| 6.63 | Datawarrior | 0 » -1 |
| 6.63 | OCHEM | 0 » -1 |
| 6.70 | QSARToolbox | 0 » -1 |
| 6.74 | QSARToolbox | 0 » -1 |
| 6.76 | QSARToolbox | 0 » -1 |