Molecule ID: mol10759
SMILES: O=C(O)CSc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C8H7NO4S/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.09 | QSARToolbox | 0 » -1 |
| 3.09 | QSARToolbox | 0 » -1 |
| 3.09 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.20 | Datawarrior | 0 » -1 |
| 3.20 | OCHEM | 0 » -1 |
| 3.21 | AttenGpKa training set | 0 » -1 |
| 3.38 | IUPAC digitized pKa | 0 » -1 |
| 3.38 | QSARToolbox | 0 » -1 |
| 3.38 | QSARToolbox | 0 » -1 |
| 5.00 | QSARToolbox | 0 » -1 |