Molecule ID: mol6061
SMILES: Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-]
InChI: InChI=1S/C7H6N4O6/c1-3-4(9(12)13)2-5(10(14)15)6(8)7(3)11(16)17/h2H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -9.37 | AttenGpKa training set | 1 » 0 |
| -8.56 | IUPAC digitized pKa | 1 » 0 |
| -8.08 | OCHEM | 1 » 0 |