Molecule ID: mol10590
SMILES: Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(O)c1[N+](=O)[O-]
InChI: InChI=1S/C8H7N3O7/c1-3-5(9(13)14)4(2)7(11(17)18)8(12)6(3)10(15)16/h12H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.38 | IUPAC digitized pKa | 0 » -1 |
| 1.39 | AttenGpKa training set | 0 » -1 |
| 1.57 | IUPAC digitized pKa | 0 » -1 |