Molecule ID: mol11311
SMILES: O=S(=O)(O)c1ccc2cc(O)c(O)cc2c1
InChI: InChI=1S/C10H8O5S/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12/h1-5,11-12H,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.09 | IUPAC digitized pKa | -1 » -2 |
| 8.10 | OCHEM | -1 » -2 |
| 8.18 | AttenGpKa training set | -1 » -2 |
| 8.19 | QSARToolbox | -1 » -2 |
| 8.19 | QSARToolbox | -1 » -2 |
| 8.19 | IUPAC digitized pKa | -1 » -2 |
| 8.24 | QSARToolbox | -1 » -2 |
| 11.85 | IUPAC digitized pKa | -2 » -3 |
| 11.85 | OCHEM | -2 » -3 |
| 11.85 | OCHEM | -2 » -3 |
| 11.96 | AttenGpKa training set | -2 » -3 |
| 12.13 | QSARToolbox | -2 » -3 |
| 12.16 | QSARToolbox | -2 » -3 |
| 12.16 | IUPAC digitized pKa | -2 » -3 |