Molecule ID: mol12191
SMILES: CCN(CC)C(=O)C1CCCN(Cc2ccccc2)C1
InChI: InChI=1S/C17H26N2O/c1-3-19(4-2)17(20)16-11-8-12-18(14-16)13-15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.81 | IUPAC digitized pKa | 1 » 0 |
| 7.81 | AttenGpKa training set | 1 » 0 |