Molecule ID: mol34967
SMILES: CC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
InChI: InChI=1S/C16H13ClN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | QSARToolbox | 1 » 0 |
| 12.29 | QSARToolbox | 0 » -1 |