Molecule ID: mol13648
SMILES: Cc1ncc(C(=O)O)s1
InChI: InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.26 | QSARToolbox | 0 » -1 |
| 3.26 | QSARToolbox | 0 » -1 |
| 3.26 | Datawarrior | 0 » -1 |
| 3.26 | OCHEM | 0 » -1 |
| 3.26 | AttenGpKa training set | 0 » -1 |