Molecule ID: mol31291
SMILES: O=S(=O)(Oc1ccccc1)C1=CC(=C(O)O)c2ccccc21
InChI: InChI=1S/C16H12O5S/c17-16(18)14-10-15(13-9-5-4-8-12(13)14)22(19,20)21-11-6-2-1-3-7-11/h1-10,17-18H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.55 | AttenGpKa training set | 0 » -1 |
| 0.55 | QSARToolbox | 0 » -1 |