Molecule ID: mol34968
SMILES: CC1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O
InChI: InChI=1S/C16H12ClN3O3/c1-9-16(21)19-14-7-6-10(20(22)23)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.61 | QSARToolbox | 1 » 0 |
| 10.79 | QSARToolbox | 0 » -1 |