Molecule ID: mol11303
SMILES: O=S(=O)(O)c1ccc(O)c2ccccc12
InChI: InChI=1S/C10H8O4S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6,11H,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | IUPAC digitized pKa | -1 » -2 |
| 8.01 | QSARToolbox | -1 » -2 |
| 8.04 | QSARToolbox | -1 » -2 |
| 8.32 | IUPAC digitized pKa | -1 » -2 |
| 8.32 | OCHEM | -1 » -2 |
| 8.34 | QSARToolbox | -1 » -2 |
| 8.40 | AttenGpKa training set | -1 » -2 |
| 8.47 | IUPAC digitized pKa | -1 » -2 |