Molecule ID: mol35732
SMILES: O=C(NCc1nc2ccccc2[nH]1)c1ccccc1
InChI: InChI=1S/C15H13N3O/c19-15(11-6-2-1-3-7-11)16-10-14-17-12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H,16,19)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.55 | QSARToolbox | 1 » 0 |
| 4.75 | QSARToolbox | 1 » 0 |