Molecule ID: mol35091
SMILES: CSc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
InChI: InChI=1S/C16H14N2OS/c1-20-12-7-8-14-13(9-12)16(17-10-15(19)18-14)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | QSARToolbox | 1 » 0 |
| 12.27 | QSARToolbox | 0 » -1 |
| 12.30 | QSARToolbox | 0 » -1 |