Molecule ID: mol3790
SMILES: O=S(=O)(O)c1cccnc1
InChI: InChI=1S/C5H5NO3S/c7-10(8,9)5-2-1-3-6-4-5/h1-4H,(H,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | IUPAC digitized pKa | 0 » -1 |
| 2.90 | OCHEM | 0 » -1 |
| 2.90 | QSARToolbox | 0 » -1 |
| 2.90 | QSARToolbox | 0 » -1 |
| 3.06 | AttenGpKa training set | 0 » -1 |
| 3.22 | IUPAC digitized pKa | 0 » -1 |