Molecule ID: mol12223
SMILES: O=C(O)CN(CCN(CC(=O)O)Cc1ccccn1)Cc1ccccn1
InChI: InChI=1S/C18H22N4O4/c23-17(24)13-21(11-15-5-1-3-7-19-15)9-10-22(14-18(25)26)12-16-6-2-4-8-20-16/h1-8H,9-14H2,(H,23,24)(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.63 | IUPAC digitized pKa | 0 » -1 |
| 8.84 | IUPAC digitized pKa | -1 » -2 |