Molecule ID: mol3731
SMILES: Sc1ccncc1
InChI: InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.43 | OCHEM | 1 » 0 |
| 1.43 | QSARToolbox | 1 » 0 |
| 1.43 | QSARToolbox | 1 » 0 |
| 1.43 | Datawarrior | 1 » 0 |
| 1.48 | AttenGpKa training set | 1 » 0 |
| 1.48 | QSARToolbox | 1 » 0 |
| 8.64 | AttenGpKa training set | 0 » -1 |
| 8.65 | IUPAC digitized pKa | 0 » -1 |
| 8.83 | QSARToolbox | 0 » -1 |
| 8.83 | Datawarrior | 0 » -1 |
| 8.86 | QSARToolbox | 0 » -1 |
| 8.86 | IUPAC digitized pKa | 0 » -1 |
| 8.86 | OCHEM | 0 » -1 |
| 8.86 | OCHEM | 0 » -1 |