Molecule ID: mol1570
SMILES: O=[N+]([O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChI: InChI=1S/C11H13N3O4/c15-13(16)9-4-5-10(11(8-9)14(17)18)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.38 | Hunt | 1 » 0 |
| -0.38 | AttenGpKa training set | 1 » 0 |