Molecule ID: mol11309
SMILES: O=S(=O)(O)c1ccc2cc(O)ccc2c1
InChI: InChI=1S/C10H8O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6,11H,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.48 | QSARToolbox | 0 » -1 |
| 8.90 | QSARToolbox | -1 » -2 |
| 8.90 | IUPAC digitized pKa | -1 » -2 |
| 9.00 | QSARToolbox | -1 » -2 |
| 9.10 | QSARToolbox | -1 » -2 |
| 9.13 | IUPAC digitized pKa | -1 » -2 |
| 9.13 | OCHEM | -1 » -2 |
| 9.14 | IUPAC digitized pKa | -1 » -2 |