Molecule ID: mol792
SMILES: O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChI: InChI=1S/C12H10N2O4S/c15-14(16)11-7-4-8-12(9-11)19(17,18)13-10-5-2-1-3-6-10/h1-9,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | IUPAC digitized pKa | 0 » -1 |
| 7.50 | Datawarrior | 0 » -1 |
| 7.50 | OCHEM | 0 » -1 |
| 7.50 | OCHEM | 0 » -1 |
| 7.50 | OCHEM | 0 » -1 |
| 7.50 | Hunt | 0 » -1 |
| 7.50 | Baltruschat ChEMBL | 0 » -1 |
| 7.50 | QSARToolbox | 0 » -1 |
| 7.50 | AttenGpKa training set | 0 » -1 |