Molecule ID: mol19321

SMILES: O=C(CCCC(CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O

InChI: InChI=1S/C13H14N2O10/c16-12(24-11-6-2-1-5-10(11)13(17)18)7-3-4-9(25-15(21)22)8-23-14(19)20/h1-2,5-6,9H,3-4,7-8H2,(H,17,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.69 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization