Molecule ID: mol1708
SMILES: CSc1ccccc1N
InChI: InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | IUPAC digitized pKa | 1 » 0 |
| 3.45 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.45 | OCHEM | 1 » 0 |
| 3.45 | Hunt | 1 » 0 |
| 3.45 | OCHEM | 1 » 0 |
| 3.45 | AttenGpKa training set | 1 » 0 |
| 3.45 | QSARToolbox | 1 » 0 |