Molecule ID: mol5283
SMILES: Nc1cc(S(=O)(=O)O)cc2ccccc12
InChI: InChI=1S/C10H9NO3S/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10/h1-6H,11H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | IUPAC digitized pKa | 0 » -1 |
| 3.20 | OCHEM | 0 » -1 |
| 3.20 | OCHEM | 0 » -1 |
| 3.20 | AttenGpKa training set | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |