Molecule ID: mol8649
SMILES: NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl
InChI: InChI=1S/C7H3Cl2N3O5/c8-4-2(7(10)13)1-3(11(14)15)5(9)6(4)12(16)17/h1H,(H2,10,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.73 | AttenGpKa training set | 1 » 0 |
| -3.12 | IUPAC digitized pKa | 1 » 0 |