Molecule ID: mol30813
SMILES: CN(C)c1ccc(N=C2C=CC(=[N+](C)C)C=C2)cc1
InChI: InChI=1S/C16H20N3/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.50 | AttenGpKa training set | 3 » 2 |
| 3.40 | AttenGpKa training set | 2 » 1 |