Molecule ID: mol36005

SMILES: O=C(O)CC(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O

InChI: InChI=1S/C11H9N3O9/c15-9(16)4-8(11(18)19)12-10(17)5-1-6(13(20)21)3-7(2-5)14(22)23/h1-3,8H,4H2,(H,12,17)(H,15,16)(H,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.68 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization