Molecule ID: mol36657

SMILES: COCc1cc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(COC)c1O

InChI: InChI=1S/C16H16N4O7/c1-26-8-10-5-12(6-11(9-27-2)16(10)21)17-18-14-4-3-13(19(22)23)7-15(14)20(24)25/h3-7,21H,8-9H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization