Molecule ID: mol26706
SMILES: CCCCNc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C17H18N2/c1-2-3-12-18-17-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h4-11H,2-3,12H2,1H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.80 | AttenGpKa training set | 1 » 0 |