Molecule ID: mol37227

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

InChI: InChI=1S/C12H13N3O7/c1-6(2)10(12(17)18)13-11(16)7-3-8(14(19)20)5-9(4-7)15(21)22/h3-6,10H,1-2H3,(H,13,16)(H,17,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.55 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization