Molecule ID: mol6172
SMILES: CCN(CC)CCNC(=O)c1c(C)cc(C)cc1C
InChI: InChI=1S/C16H26N2O/c1-6-18(7-2)9-8-17-16(19)15-13(4)10-12(3)11-14(15)5/h10-11H,6-9H2,1-5H3,(H,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.71 | IUPAC digitized pKa | 1 » 0 |
| 8.71 | AttenGpKa training set | 1 » 0 |