Molecule ID: mol3990
SMILES: Sc1cnccn1
InChI: InChI=1S/C4H4N2S/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.73 | QSARToolbox | 1 » 0 |
| -0.73 | AttenGpKa training set | 1 » 0 |
| -0.24 | IUPAC digitized pKa | 1 » 0 |
| -0.24 | QSARToolbox | 1 » 0 |
| 6.30 | OCHEM | 0 » -1 |
| 6.32 | AttenGpKa training set | 0 » -1 |
| 6.34 | IUPAC digitized pKa | 0 » -1 |
| 6.34 | QSARToolbox | 0 » -1 |
| 6.75 | QSARToolbox | 0 » -1 |