Molecule ID: mol12242
SMILES: CCN(CC)C(=O)C1CCCN(Cc2cccc(OC)c2)C1
InChI: InChI=1S/C18H28N2O2/c1-4-20(5-2)18(21)16-9-7-11-19(14-16)13-15-8-6-10-17(12-15)22-3/h6,8,10,12,16H,4-5,7,9,11,13-14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.71 | IUPAC digitized pKa | 1 » 0 |
| 7.71 | AttenGpKa training set | 1 » 0 |