Molecule ID: mol12241
SMILES: CCN(CC)C(=O)C1CCCN(Cc2ccc(C)cc2)C1
InChI: InChI=1S/C18H28N2O/c1-4-20(5-2)18(21)17-7-6-12-19(14-17)13-16-10-8-15(3)9-11-16/h8-11,17H,4-7,12-14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.91 | IUPAC digitized pKa | 1 » 0 |
| 7.91 | AttenGpKa training set | 1 » 0 |