Molecule ID: mol6166
SMILES: CCN(CC)CCNC(=O)c1cccc(C)c1
InChI: InChI=1S/C14H22N2O/c1-4-16(5-2)10-9-15-14(17)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.05 | IUPAC digitized pKa | 1 » 0 |
| 9.05 | AttenGpKa training set | 1 » 0 |