Molecule ID: mol25550
SMILES: CC1=CC(c2ccccc2)C=[N+]1c1ccccc1
InChI: InChI=1S/C17H16N/c1-14-12-16(15-8-4-2-5-9-15)13-18(14)17-10-6-3-7-11-17/h2-13,16H,1H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.01 | AttenGpKa training set | 1 » 0 |