Molecule ID: mol12187
SMILES: C[n+]1ccc(C=Cc2ccc3cccc(O)c3n2)cc1
InChI: InChI=1S/C17H14N2O/c1-19-11-9-13(10-12-19)5-7-15-8-6-14-3-2-4-16(20)17(14)18-15/h2-12H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | IUPAC digitized pKa | 2 » 1 |
| 9.20 | IUPAC digitized pKa | 1 » 0 |