Molecule ID: mol5287
SMILES: Nc1cccc2ccc(S(=O)(=O)O)cc12
InChI: InChI=1S/C10H9NO3S/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14/h1-6H,11H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | IUPAC digitized pKa | 0 » -1 |
| 3.66 | OCHEM | 0 » -1 |
| 3.66 | OCHEM | 0 » -1 |
| 3.66 | AttenGpKa training set | 0 » -1 |
| 3.66 | QSARToolbox | 0 » -1 |