Molecule ID: mol6055
SMILES: CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C13H11N3O4/c1-14(10-5-3-2-4-6-10)12-8-7-11(15(17)18)9-13(12)16(19)20/h2-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -6.31 | IUPAC digitized pKa | 1 » 0 |
| -6.19 | AttenGpKa training set | 1 » 0 |