Molecule ID: mol30958
SMILES: O=C1C=CC(=C(c2ccc(O)cc2)c2ccccc2S(=O)(=O)O)C=C1
InChI: InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24/h1-12,20H,(H,22,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.03 | AttenGpKa training set | 0 » -1 |
| 7.82 | QSARToolbox | -1 » -2 |
| 8.01 | QSARToolbox | -1 » -2 |