Molecule ID: mol1079
SMILES: CSc1cccc(N)c1
InChI: InChI=1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | IUPAC digitized pKa | 1 » 0 |
| 4.00 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.00 | OCHEM | 1 » 0 |
| 4.00 | Hunt | 1 » 0 |
| 4.00 | OCHEM | 1 » 0 |
| 4.00 | QSARToolbox | 1 » 0 |
| 4.05 | Datawarrior | 1 » 0 |
| 4.05 | AttenGpKa training set | 1 » 0 |
| 4.05 | QSARToolbox | 1 » 0 |
| 4.05 | OCHEM | 1 » 0 |