Molecule ID: mol11587
SMILES: O=C(O)CN(CC(=O)O)Cc1ccccc1[N+](=O)[O-]
InChI: InChI=1S/C11H12N2O6/c14-10(15)6-12(7-11(16)17)5-8-3-1-2-4-9(8)13(18)19/h1-4H,5-7H2,(H,14,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.99 | IUPAC digitized pKa | 1 » 0 |
| 8.29 | IUPAC digitized pKa | -1 » -2 |