Molecule ID: mol11353
SMILES: O=C(CCC([N+](=O)[O-])[N+](=O)[O-])c1ccccc1
InChI: InChI=1S/C10H10N2O5/c13-9(8-4-2-1-3-5-8)6-7-10(11(14)15)12(16)17/h1-5,10H,6-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.14 | IUPAC digitized pKa | 0 » -1 |
| 4.29 | IUPAC digitized pKa | 0 » -1 |
| 4.41 | IUPAC digitized pKa | 0 » -1 |
| 4.45 | IUPAC digitized pKa | 0 » -1 |
| 4.61 | IUPAC digitized pKa | 0 » -1 |