Molecule ID: mol11313
SMILES: O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(O)ccc2c1
InChI: InChI=1S/C10H8O7S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.61 | QSARToolbox | -2 » -3 |
| 8.70 | IUPAC digitized pKa | -2 » -3 |
| 8.99 | IUPAC digitized pKa | -2 » -3 |
| 9.00 | OCHEM | -2 » -3 |