Molecule ID: mol23004

SMILES: COCOc1c(C(=O)O)cccc1[N+](=O)[O-]

InChI: InChI=1S/C9H9NO6/c1-15-5-16-8-6(9(11)12)3-2-4-7(8)10(13)14/h2-4H,5H2,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization