Molecule ID: mol5282
SMILES: Nc1c(S(=O)(=O)O)ccc2ccccc12
InChI: InChI=1S/C10H9NO3S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h1-6H,11H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.71 | IUPAC digitized pKa | 0 » -1 |
| 1.71 | OCHEM | 0 » -1 |
| 1.71 | OCHEM | 0 » -1 |
| 1.71 | AttenGpKa training set | 0 » -1 |
| 1.71 | QSARToolbox | 0 » -1 |
| 1.71 | QSARToolbox | 0 » -1 |