Molecule ID: mol10129
SMILES: O=C(O)c1cc(S(=O)(=O)O)ccc1O
InChI: InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | IUPAC digitized pKa | -1 » -2 |
| 2.30 | IUPAC digitized pKa | -1 » -2 |
| 2.36 | IUPAC digitized pKa | -1 » -2 |
| 2.46 | AttenGpKa training set | -1 » -2 |
| 2.48 | IUPAC digitized pKa | -1 » -2 |
| 2.49 | QSARToolbox | -1 » -2 |
| 2.49 | QSARToolbox | -1 » -2 |
| 2.49 | QSARToolbox | -1 » -2 |
| 2.50 | IUPAC digitized pKa | -1 » -2 |
| 2.62 | IUPAC digitized pKa | -1 » -2 |
| 2.67 | IUPAC digitized pKa | -1 » -2 |
| 2.67 | QSARToolbox | -1 » -2 |
| 2.68 | QSARToolbox | -1 » -2 |
| 2.68 | QSARToolbox | -1 » -2 |
| 2.93 | QSARToolbox | -1 » -2 |
| 2.93 | QSARToolbox | -1 » -2 |
| 11.41 | IUPAC digitized pKa | -2 » -3 |
| 11.42 | QSARToolbox | -2 » -3 |
| 11.47 | IUPAC digitized pKa | -2 » -3 |
| 11.57 | QSARToolbox | -2 » -3 |
| 11.59 | IUPAC digitized pKa | -2 » -3 |
| 11.67 | IUPAC digitized pKa | -2 » -3 |
| 11.70 | IUPAC digitized pKa | -2 » -3 |
| 11.74 | QSARToolbox | -2 » -3 |
| 11.90 | QSARToolbox | -2 » -3 |
| 11.95 | IUPAC digitized pKa | -2 » -3 |
| 11.96 | IUPAC digitized pKa | -2 » -3 |
| 11.97 | IUPAC digitized pKa | -2 » -3 |
| 12.00 | IUPAC digitized pKa | -2 » -3 |
| 12.01 | AttenGpKa training set | -2 » -3 |
| 12.23 | IUPAC digitized pKa | -2 » -3 |
| 12.60 | QSARToolbox | -2 » -3 |
| 12.60 | QSARToolbox | -2 » -3 |