Molecule ID: mol3761
SMILES: CSc1ccncc1
InChI: InChI=1S/C6H7NS/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.94 | IUPAC digitized pKa | 1 » 0 |
| 5.94 | OCHEM | 1 » 0 |
| 5.94 | OCHEM | 1 » 0 |
| 5.94 | OCHEM | 1 » 0 |
| 5.94 | QSARToolbox | 1 » 0 |
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | OCHEM | 1 » 0 |
| 5.97 | Datawarrior | 1 » 0 |
| 5.97 | AttenGpKa training set | 1 » 0 |