Molecule ID: mol5285
SMILES: Nc1cccc2c(S(=O)(=O)O)cccc12
InChI: InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.69 | IUPAC digitized pKa | 0 » -1 |
| 3.69 | OCHEM | 0 » -1 |
| 3.69 | OCHEM | 0 » -1 |
| 3.69 | AttenGpKa training set | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |