Molecule ID: mol26019
SMILES: CC(O)(Oc1ccc([N+](=O)[O-])cc1)n1ccnc1
InChI: InChI=1S/C11H11N3O4/c1-11(15,13-7-6-12-8-13)18-10-4-2-9(3-5-10)14(16)17/h2-8,15H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.56 | AttenGpKa training set | 1 » 0 |
| 8.12 | AttenGpKa training set | 1 » 0 |