Molecule ID: mol12243
SMILES: CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)cc2)C1
InChI: InChI=1S/C18H28N2O2/c1-4-20(5-2)18(21)16-7-6-12-19(14-16)13-15-8-10-17(22-3)11-9-15/h8-11,16H,4-7,12-14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.98 | IUPAC digitized pKa | 1 » 0 |
| 7.98 | AttenGpKa training set | 1 » 0 |