Molecule ID: mol30322
SMILES: c1ccc(C2=NOC(c3ccccc3)(c3ccccc3)C2)cc1
InChI: InChI=1S/C21H17NO/c1-4-10-17(11-5-1)20-16-21(23-22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.90 | AttenGpKa training set | 1 » 0 |