Molecule ID: mol29616
SMILES: CNCCC(c1ccccc1)c1ccccn1
InChI: InChI=1S/C15H18N2/c1-16-12-10-14(13-7-3-2-4-8-13)15-9-5-6-11-17-15/h2-9,11,14,16H,10,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.02 | AttenGpKa training set | 2 » 1 |
| 10.10 | AttenGpKa training set | 1 » 0 |