Molecule ID: mol5294
SMILES: Nc1ccc2cccc(S(=O)(=O)O)c2c1
InChI: InChI=1S/C10H9NO3S/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.89 | IUPAC digitized pKa | 0 » -1 |
| 3.89 | OCHEM | 0 » -1 |
| 3.89 | OCHEM | 0 » -1 |
| 3.89 | AttenGpKa training set | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |
| 3.89 | QSARToolbox | 0 » -1 |