Molecule ID: mol5286
SMILES: Nc1cccc2cc(S(=O)(=O)O)ccc12
InChI: InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | IUPAC digitized pKa | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | AttenGpKa training set | 0 » -1 |