Molecule ID: mol24218
SMILES: CC(CNc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C10H9N5O10/c1-10(14(22)23,15(24)25)4-11-8-6(12(18)19)2-5(9(16)17)3-7(8)13(20)21/h2-3,11H,4H2,1H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -8.78 | AttenGpKa training set | 1 » 0 |