Molecule ID: mol3760
SMILES: CSc1cccnc1
InChI: InChI=1S/C6H7NS/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.42 | IUPAC digitized pKa | 1 » 0 |
| 4.42 | OCHEM | 1 » 0 |
| 4.42 | OCHEM | 1 » 0 |
| 4.42 | OCHEM | 1 » 0 |
| 4.42 | QSARToolbox | 1 » 0 |
| 4.45 | OCHEM | 1 » 0 |
| 4.45 | QSARToolbox | 1 » 0 |
| 4.45 | Datawarrior | 1 » 0 |
| 4.45 | AttenGpKa training set | 1 » 0 |