Molecule ID: mol7754
SMILES: Cc1cc(C)c2cccc(S)c2n1
InChI: InChI=1S/C11H11NS/c1-7-6-8(2)12-11-9(7)4-3-5-10(11)13/h3-6,13H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | QSARToolbox | 1 » 0 |
| 2.24 | IUPAC digitized pKa | 1 » 0 |
| 2.24 | QSARToolbox | 1 » 0 |
| 10.05 | IUPAC digitized pKa | 0 » -1 |