Molecule ID: mol2214
SMILES: CCSc1ccc(N)cc1
InChI: InChI=1S/C8H11NS/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | IUPAC digitized pKa | 1 » 0 |
| 4.00 | Hunt | 1 » 0 |
| 4.00 | OCHEM | 1 » 0 |
| 4.00 | QSARToolbox | 1 » 0 |