Molecule ID: mol10091
SMILES: Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]
InChI: InChI=1S/C7H5N3O7/c1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h2,11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.81 | IUPAC digitized pKa | 0 » -1 |
| 0.91 | OCHEM | 0 » -1 |
| 1.00 | AttenGpKa training set | 0 » -1 |