Molecule ID: mol31292
SMILES: O=S(=O)(Oc1ccccc1)c1cccc2c1C=CC2=C(O)O
InChI: InChI=1S/C16H12O5S/c17-16(18)14-10-9-13-12(14)7-4-8-15(13)22(19,20)21-11-5-2-1-3-6-11/h1-10,17-18H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.05 | QSARToolbox | 0 » -1 |
| 1.05 | AttenGpKa training set | 0 » -1 |