Molecule ID: mol31808
SMILES: CCC1(c2cccc([N+](=O)[O-])c2)C(=O)NC(=O)NC1=O
InChI: InChI=1S/C12H11N3O5/c1-2-12(9(16)13-11(18)14-10(12)17)7-4-3-5-8(6-7)15(19)20/h3-6H,2H2,1H3,(H2,13,14,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.02 | OCHEM | 0 » -1 |
| 7.02 | OCHEM | 0 » -1 |