Molecule ID: mol34802
SMILES: CC(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1
InChI: InChI=1S/C16H15N3O/c1-11(17-16(20)12-7-3-2-4-8-12)15-18-13-9-5-6-10-14(13)19-15/h2-11H,1H3,(H,17,20)(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.76 | QSARToolbox | 1 » 0 |
| 4.87 | QSARToolbox | 1 » 0 |