Molecule ID: mol7758
SMILES: Cc1cc(S)c2ncccc2c1
InChI: InChI=1S/C10H9NS/c1-7-5-8-3-2-4-11-10(8)9(12)6-7/h2-6,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.11 | QSARToolbox | 1 » 0 |
| 2.11 | IUPAC digitized pKa | 1 » 0 |
| 8.49 | QSARToolbox | 0 » -1 |
| 8.49 | IUPAC digitized pKa | 0 » -1 |
| 8.49 | OCHEM | 0 » -1 |
| 8.49 | OCHEM | 0 » -1 |