Molecule ID: mol6156
SMILES: CCN(CC)CC(C)(C)CNC(=O)c1cc(C)cc(C)c1
InChI: InChI=1S/C18H30N2O/c1-7-20(8-2)13-18(5,6)12-19-17(21)16-10-14(3)9-15(4)11-16/h9-11H,7-8,12-13H2,1-6H3,(H,19,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.23 | AttenGpKa training set | 1 » 0 |
| 9.23 | IUPAC digitized pKa | 1 » 0 |