Molecule ID: mol9480
SMILES: O=C(O)c1cc([N+](=O)[O-])cs1
InChI: InChI=1S/C5H3NO4S/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2H,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.81 | QSARToolbox | 0 » -1 |
| 2.81 | QSARToolbox | 0 » -1 |
| 2.81 | IUPAC digitized pKa | 0 » -1 |
| 2.83 | OCHEM | 0 » -1 |
| 2.83 | Datawarrior | 0 » -1 |
| 2.84 | AttenGpKa training set | 0 » -1 |
| 2.86 | QSARToolbox | 0 » -1 |
| 2.86 | IUPAC digitized pKa | 0 » -1 |