Molecule ID: mol9347
SMILES: O=C(O)c1c[nH]c(=O)[nH]c1=O
InChI: InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | IUPAC digitized pKa | 0 » -1 |
| 8.89 | IUPAC digitized pKa | -1 » -2 |
| 9.01 | AttenGpKa training set | -1 » -2 |