Molecule ID: mol34684

SMILES: CC(=O)C(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)=C(O)/C=C/c1ccccc1

InChI: InChI=1S/C21H17NO5/c1-15(23)21(19(24)13-9-16-5-3-2-4-6-16)20(25)14-10-17-7-11-18(12-8-17)22(26)27/h2-14,24H,1H3/b13-9+,14-10+,21-19?

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization