Molecule ID: mol6054
SMILES: CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C13H9N5O8/c1-14(10-4-2-8(15(19)20)6-12(10)17(23)24)11-5-3-9(16(21)22)7-13(11)18(25)26/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -10.56 | AttenGpKa training set | 1 » 0 |