Molecule ID: mol37529

SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(/C=C/c2ccc(O)cc2)cc1

InChI: InChI=1S/C21H14N2O7/c24-18-10-5-15(6-11-18)2-1-14-3-7-16(8-4-14)21(25)30-20-12-9-17(22(26)27)13-19(20)23(28)29/h1-13,24H/b2-1+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization