Molecule ID: mol7759
SMILES: Cc1ccc2cccnc2c1S
InChI: InChI=1S/C10H9NS/c1-7-4-5-8-3-2-6-11-9(8)10(7)12/h2-6,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | IUPAC digitized pKa | 1 » 0 |
| 2.25 | QSARToolbox | 1 » 0 |
| 9.27 | IUPAC digitized pKa | 0 » -1 |
| 9.27 | OCHEM | 0 » -1 |
| 9.27 | OCHEM | 0 » -1 |
| 9.27 | QSARToolbox | 0 » -1 |