Molecule ID: mol23001

SMILES: COc1cc(C(=O)O)c(OC)c([N+](=O)[O-])c1

InChI: InChI=1S/C9H9NO6/c1-15-5-3-6(9(11)12)8(16-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.77 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization