Molecule ID: mol7330
SMILES: O=C1N=C(O)N=C(O)C1(CCN1CCOCC1)c1ccccc1
InChI: InChI=1S/C16H19N3O4/c20-13-16(12-4-2-1-3-5-12,14(21)18-15(22)17-13)6-7-19-8-10-23-11-9-19/h1-5H,6-11H2,(H2,17,18,20,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.56 | IUPAC digitized pKa | 1 » 0 |
| 8.57 | IUPAC digitized pKa | 0 » -1 |