Molecule ID: mol9877
SMILES: O=[N+]([O-])c1cccc(S(=O)O)c1
InChI: InChI=1S/C6H5NO4S/c8-7(9)5-2-1-3-6(4-5)12(10)11/h1-4H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.55 | QSARToolbox | 0 » -1 |
| 0.55 | QSARToolbox | 0 » -1 |
| 0.55 | QSARToolbox | 0 » -1 |
| 1.21 | Datawarrior | 0 » -1 |
| 1.21 | OCHEM | 0 » -1 |
| 1.88 | QSARToolbox | 0 » -1 |
| 1.88 | IUPAC digitized pKa | 0 » -1 |
| 1.88 | AttenGpKa training set | 0 » -1 |
| 2.81 | IUPAC digitized pKa | 0 » -1 |