Molecule ID: mol793
SMILES: O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2)c1
InChI: InChI=1S/C12H10N2O4S/c15-14(16)11-6-4-5-10(9-11)13-19(17,18)12-7-2-1-3-8-12/h1-9,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.89 | QSARToolbox | 0 » -1 |
| 6.91 | OCHEM | 0 » -1 |
| 6.91 | Datawarrior | 0 » -1 |
| 6.92 | AttenGpKa training set | 0 » -1 |
| 6.94 | IUPAC digitized pKa | 0 » -1 |
| 6.94 | Hunt | 0 » -1 |
| 6.94 | QSARToolbox | 0 » -1 |
| 7.93 | OCHEM | 0 » -1 |
| 7.93 | OCHEM | 0 » -1 |
| 7.93 | Baltruschat ChEMBL | 0 » -1 |