Molecule ID: mol6643
SMILES: c1ccc(CSc2nc[nH]c2-c2ccccc2)cc1
InChI: InChI=1S/C16H14N2S/c1-3-7-13(8-4-1)11-19-16-15(17-12-18-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.43 | IUPAC digitized pKa | 1 » 0 |
| 11.97 | IUPAC digitized pKa | 0 » -1 |