Molecule ID: mol5288
SMILES: Nc1cccc2cccc(S(=O)(=O)O)c12
InChI: InChI=1S/C10H9NO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.03 | IUPAC digitized pKa | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | OCHEM | 0 » -1 |
| 5.03 | AttenGpKa training set | 0 » -1 |
| 5.03 | QSARToolbox | 0 » -1 |