Molecule ID: mol35092
SMILES: CSc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21
InChI: InChI=1S/C16H13ClN2OS/c1-21-14-5-3-2-4-11(14)16-12-8-10(17)6-7-13(12)19-15(20)9-18-16/h2-8H,9H2,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.65 | QSARToolbox | 1 » 0 |
| 11.95 | QSARToolbox | 0 » -1 |