Molecule ID: mol12190
SMILES: CCN(CC)C(=O)C1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1
InChI: InChI=1S/C17H25N3O3/c1-3-19(4-2)17(21)15-6-5-11-18(13-15)12-14-7-9-16(10-8-14)20(22)23/h7-10,15H,3-6,11-13H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.90 | IUPAC digitized pKa | 1 » 0 |
| 6.90 | AttenGpKa training set | 1 » 0 |