Molecule ID: mol12194
SMILES: CCN(CC)C(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChI: InChI=1S/C17H25ClN2O/c1-3-20(4-2)17(21)15-6-5-11-19(13-15)12-14-7-9-16(18)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | IUPAC digitized pKa | 1 » 0 |
| 7.55 | AttenGpKa training set | 1 » 0 |