Molecule ID: mol37223
SMILES: O=C(O)CCC(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O
InChI: InChI=1S/C12H11N3O9/c16-10(17)2-1-9(12(19)20)13-11(18)6-3-7(14(21)22)5-8(4-6)15(23)24/h3-5,9H,1-2H2,(H,13,18)(H,16,17)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.69 | QSARToolbox | 0 » -1 |