Molecule ID: mol6530
SMILES: CSCc1ccccn1
InChI: InChI=1S/C7H9NS/c1-9-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.61 | IUPAC digitized pKa | 1 » 0 |
| 4.61 | QSARToolbox | 1 » 0 |
| 4.64 | OCHEM | 1 » 0 |
| 4.67 | IUPAC digitized pKa | 1 » 0 |
| 4.67 | QSARToolbox | 1 » 0 |
| 5.40 | Datawarrior | 1 » 0 |
| 5.40 | QSARToolbox | 1 » 0 |
| 5.40 | OCHEM | 1 » 0 |