Molecule ID: mol10510
SMILES: CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChI: InChI=1S/C8H6N2O6/c1-4(11)6-2-5(9(13)14)3-7(8(6)12)10(15)16/h2-3,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | OCHEM | 0 » -1 |
| 3.11 | IUPAC digitized pKa | 0 » -1 |
| 3.26 | IUPAC digitized pKa | 0 » -1 |
| 3.26 | AttenGpKa training set | 0 » -1 |