Molecule ID: mol9611
SMILES: O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]
InChI: InChI=1S/C6H2N2O8/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h9,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.00 | AttenGpKa training set | 0 » -1 |
| -2.70 | OCHEM | 0 » -1 |
| -0.80 | OCHEM | 0 » -1 |
| -0.80 | OCHEM | 0 » -1 |
| -0.50 | AttenGpKa training set | 0 » -1 |