Molecule ID: mol6168
SMILES: CCN(CC)CCNC(=O)c1ccc(C)c(C)c1C
InChI: InChI=1S/C16H26N2O/c1-6-18(7-2)11-10-17-16(19)15-9-8-12(3)13(4)14(15)5/h8-9H,6-7,10-11H2,1-5H3,(H,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.89 | AttenGpKa training set | 1 » 0 |
| 8.89 | IUPAC digitized pKa | 1 » 0 |