Molecule ID: mol31247
SMILES: O=S(=O)(O)c1cccc2c1C=CC2=C(O)O
InChI: InChI=1S/C10H8O5S/c11-10(12)8-5-4-7-6(8)2-1-3-9(7)16(13,14)15/h1-5,11-12H,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.33 | AttenGpKa training set | 0 » -1 |
| 1.33 | QSARToolbox | 0 » -1 |