Molecule ID: mol4235
SMILES: Nc1nccs1
InChI: InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.32 | IUPAC digitized pKa | 1 » 0 |
| 5.36 | IUPAC digitized pKa | 1 » 0 |
| 5.36 | OCHEM | 1 » 0 |
| 5.39 | QSARToolbox | 1 » 0 |
| 5.39 | AttenGpKa training set | 1 » 0 |
| 5.44 | Datawarrior | 1 » 0 |
| 5.44 | OCHEM | 1 » 0 |
| 5.57 | QSARToolbox | 1 » 0 |