Molecule ID: mol12240
SMILES: CCN(CC)C(=O)C1CCCN(Cc2cccc(C)c2)C1
InChI: InChI=1S/C18H28N2O/c1-4-20(5-2)18(21)17-10-7-11-19(14-17)13-16-9-6-8-15(3)12-16/h6,8-9,12,17H,4-5,7,10-11,13-14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.86 | IUPAC digitized pKa | 1 » 0 |
| 7.86 | AttenGpKa training set | 1 » 0 |