Molecule ID: mol10758
SMILES: O=C(O)CSc1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C8H7NO4S/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | IUPAC digitized pKa | 0 » -1 |
| 3.40 | Datawarrior | 0 » -1 |
| 3.40 | AttenGpKa training set | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |