Molecule ID: mol6178
SMILES: CCN(CC)CCCNC(=O)c1cc(C)cc(C)c1
InChI: InChI=1S/C16H26N2O/c1-5-18(6-2)9-7-8-17-16(19)15-11-13(3)10-14(4)12-15/h10-12H,5-9H2,1-4H3,(H,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.83 | AttenGpKa training set | 1 » 0 |
| 9.83 | IUPAC digitized pKa | 1 » 0 |