Molecule ID: mol30327
SMILES: CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccccc1Cl
InChI: InChI=1S/C17H13ClN2O2/c1-11-15(16(21)13-9-5-6-10-14(13)18)17(22)20(19-11)12-7-3-2-4-8-12/h2-10,15H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | AttenGpKa training set | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |