Molecule ID: mol12193
SMILES: CCN(CC)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1
InChI: InChI=1S/C17H25ClN2O/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.38 | IUPAC digitized pKa | 1 » 0 |
| 7.38 | AttenGpKa training set | 1 » 0 |