Molecule ID: mol28390
SMILES: O=S(=O)(O)c1ccc2ccccc2c1
InChI: InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.00 | AttenGpKa training set | 0 » -1 |
| -0.72 | AttenGpKa training set | 0 » -1 |
| 0.57 | QSARToolbox | 0 » -1 |