Molecule ID: mol6162
SMILES: CCN(CC)CCNC(=O)c1c(C)cccc1C
InChI: InChI=1S/C15H24N2O/c1-5-17(6-2)11-10-16-15(18)14-12(3)8-7-9-13(14)4/h7-9H,5-6,10-11H2,1-4H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.68 | AttenGpKa training set | 1 » 0 |
| 8.69 | IUPAC digitized pKa | 1 » 0 |