Molecule ID: mol5293
SMILES: Nc1ccc2ccc(S(=O)(=O)O)cc2c1
InChI: InChI=1S/C10H9NO3S/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9/h1-6H,11H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.95 | IUPAC digitized pKa | 0 » -1 |
| 3.95 | AttenGpKa training set | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |