Molecule ID: mol31248
SMILES: O=S(=O)(O)C1=CC(=C(O)O)c2ccccc21
InChI: InChI=1S/C10H8O5S/c11-10(12)8-5-9(16(13,14)15)7-4-2-1-3-6(7)8/h1-5,11-12H,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.44 | QSARToolbox | 0 » -1 |
| 0.55 | AttenGpKa training set | 0 » -1 |