Molecule ID: mol31289
SMILES: O=S(O)c1ccc2c(c1)-c1ccccc1C(O)(O)C2(O)O
InChI: InChI=1S/C14H12O6S/c15-13(16)11-4-2-1-3-9(11)10-7-8(21(19)20)5-6-12(10)14(13,17)18/h1-7,15-18H,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.50 | AttenGpKa training set | -3 » -4 |