Molecule ID: mol4705
SMILES: CC(=O)N1CCN(Cc2ccccc2)c2ncnc(C)c21
InChI: InChI=1S/C16H18N4O/c1-12-15-16(18-11-17-12)19(8-9-20(15)13(2)21)10-14-6-4-3-5-7-14/h3-7,11H,8-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.45 | IUPAC digitized pKa | 1 » 0 |
| 5.49 | QSARToolbox | 1 » 0 |