Molecule ID: mol35140

SMILES: CCC(CC)(C(=O)O)C(=O)Oc1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C13H15NO6/c1-3-13(4-2,11(15)16)12(17)20-10-7-5-9(6-8-10)14(18)19/h5-8H,3-4H2,1-2H3,(H,15,16)

Experimental Macro pKa Values

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