Molecule ID: mol9701
SMILES: O=C(O)Cc1c[nH]c(=O)[nH]c1=O
InChI: InChI=1S/C6H6N2O4/c9-4(10)1-3-2-7-6(12)8-5(3)11/h2H,1H2,(H,9,10)(H2,7,8,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.31 | IUPAC digitized pKa | 0 » -1 |
| 9.97 | IUPAC digitized pKa | -1 » -2 |