Molecule ID: mol6160
SMILES: CCN(CC)CCNC(=O)c1ccc(C)cc1C
InChI: InChI=1S/C15H24N2O/c1-5-17(6-2)10-9-16-15(18)14-8-7-12(3)11-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.92 | IUPAC digitized pKa | 1 » 0 |
| 8.92 | AttenGpKa training set | 1 » 0 |