Molecule ID: mol7755
SMILES: Cc1cc(S)c2nccc(C)c2c1
InChI: InChI=1S/C11H11NS/c1-7-5-9-8(2)3-4-12-11(9)10(13)6-7/h3-6,13H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | QSARToolbox | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 9.30 | IUPAC digitized pKa | 0 » -1 |
| 9.30 | OCHEM | 0 » -1 |
| 9.30 | OCHEM | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |