Molecule ID: mol34622

SMILES: COc1ccc(/C=C/C(O)=C(C(C)=O)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1

InChI: InChI=1S/C22H19NO6/c1-15(24)22(21(26)14-8-17-5-11-19(29-2)12-6-17)20(25)13-7-16-3-9-18(10-4-16)23(27)28/h3-14,26H,1-2H3/b13-7+,14-8+,22-21?

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization