Molecule ID: mol24121
SMILES: N#CCCNc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]
InChI: InChI=1S/C10H8N4O6/c11-2-1-3-12-9-7(13(17)18)4-6(10(15)16)5-8(9)14(19)20/h4-5,12H,1,3H2,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -6.01 | AttenGpKa training set | 1 » 0 |