Molecule ID: mol9702
SMILES: COC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChI: InChI=1S/C6H6N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h2H,1H3,(H2,7,8,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.93 | IUPAC digitized pKa | 0 » -1 |
| 7.93 | AttenGpKa training set | 0 » -1 |