Molecule ID: mol3759
SMILES: CSc1ccccn1
InChI: InChI=1S/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | QSARToolbox | 1 » 0 |
| 3.59 | IUPAC digitized pKa | 1 » 0 |
| 3.59 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.59 | OCHEM | 1 » 0 |
| 3.59 | OCHEM | 1 » 0 |
| 3.59 | OCHEM | 1 » 0 |
| 3.59 | OCHEM | 1 » 0 |
| 3.59 | OCHEM | 1 » 0 |
| 3.62 | QSARToolbox | 1 » 0 |
| 3.62 | OCHEM | 1 » 0 |
| 3.62 | Datawarrior | 1 » 0 |
| 3.62 | AttenGpKa training set | 1 » 0 |