Molecule ID: mol28524
SMILES: O=S(=O)(O)c1cc(O)c(O)c(S(=O)(=O)O)c1
InChI: InChI=1S/C6H6O8S2/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h1-2,7-8H,(H,9,10,11)(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.02 | QSARToolbox | -1 » -2 |
| 1.02 | QSARToolbox | -1 » -2 |
| 1.02 | AttenGpKa training set | -1 » -2 |
| 1.70 | AttenGpKa training set | -1 » -2 |
| 1.70 | QSARToolbox | -1 » -2 |
| 1.70 | QSARToolbox | -1 » -2 |
| 7.59 | QSARToolbox | -2 » -3 |
| 7.59 | AttenGpKa training set | -2 » -3 |
| 8.60 | QSARToolbox | -2 » -3 |
| 8.60 | QSARToolbox | -2 » -3 |
| 12.45 | AttenGpKa training set | -3 » -4 |
| 14.50 | QSARToolbox | -3 » -4 |
| 14.50 | QSARToolbox | -3 » -4 |