Molecule ID: mol1439
SMILES: O=S(=O)(O)c1cccc2ccccc12
InChI: InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.40 | AttenGpKa training set | 0 » -1 |
| 0.16 | Hunt | 0 » -1 |
| 0.17 | QSARToolbox | 0 » -1 |
| 0.43 | AttenGpKa training set | 0 » -1 |
| 0.68 | OCHEM | 0 » -1 |
| 1.67 | QSARToolbox | 0 » -1 |