Molecule ID: mol35819
SMILES: Cc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21
InChI: InChI=1S/C16H13ClN2O/c1-10-4-2-3-5-12(10)16-13-8-11(17)6-7-14(13)19-15(20)9-18-16/h2-8H,9H2,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | QSARToolbox | 1 » 0 |
| 11.96 | QSARToolbox | 0 » -1 |