Molecule ID: mol25559
SMILES: O=[N+]([O-])c1cccc(-c2n[nH]c([N+](=O)[O-])n2)c1
InChI: InChI=1S/C8H5N5O4/c14-12(15)6-3-1-2-5(4-6)7-9-8(11-10-7)13(16)17/h1-4H,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.36 | AttenGpKa training set | 0 » -1 |