Molecule ID: mol6076
SMILES: C[N+](C)(C)c1ccc(C=Nc2ccc(N(O)O)cc2)cc1
InChI: InChI=1S/C16H20N3O2/c1-19(2,3)16-10-4-13(5-11-16)12-17-14-6-8-15(9-7-14)18(20)21/h4-12,20-21H,1-3H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.11 | IUPAC digitized pKa | 2 » 1 |
| 9.10 | IUPAC digitized pKa | 1 » 0 |