Molecule ID: mol10757
SMILES: O=C(O)CSc1ccccc1[N+](=O)[O-]
InChI: InChI=1S/C8H7NO4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | IUPAC digitized pKa | 0 » -1 |
| 3.18 | Datawarrior | 0 » -1 |
| 3.18 | OCHEM | 0 » -1 |
| 3.21 | AttenGpKa training set | 0 » -1 |
| 3.26 | QSARToolbox | 0 » -1 |
| 3.26 | QSARToolbox | 0 » -1 |
| 3.26 | OCHEM | 0 » -1 |