Molecule ID: mol11035
SMILES: CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChI: InChI=1S/C9H10N2O5/c1-5(2)7-3-6(10(13)14)4-8(9(7)12)11(15)16/h3-5,12H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.47 | OCHEM | 0 » -1 |
| 4.54 | IUPAC digitized pKa | 0 » -1 |