Molecule ID: mol3930
SMILES: c1ccc(C(C2=NCCN2)c2ccccc2)cc1
InChI: InChI=1S/C16H16N2/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.78 | IUPAC digitized pKa | 1 » 0 |