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)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization