Molecule ID: mol6161
SMILES: CCN(CC)CCNC(=O)c1cc(C)ccc1C
InChI: InChI=1S/C15H24N2O/c1-5-17(6-2)10-9-16-15(18)14-11-12(3)7-8-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.89 | IUPAC digitized pKa | 1 » 0 |
| 8.89 | AttenGpKa training set | 1 » 0 |