Molecule ID: mol15636
SMILES: O=C(Cc1ccc2ccc3cccnc3c2n1)c1ccccc1
InChI: InChI=1S/C20H14N2O/c23-18(14-5-2-1-3-6-14)13-17-11-10-16-9-8-15-7-4-12-21-19(15)20(16)22-17/h1-12H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | Datawarrior | 1 » 0 |
| 4.40 | QSARToolbox | 1 » 0 |
| 4.40 | OCHEM | 1 » 0 |