Molecule ID: mol34627

SMILES: COc1ccc(/C=N/Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)cc1OC

InChI: InChI=1S/C16H13F3N4O6/c1-28-13-4-3-9(5-14(13)29-2)8-20-21-15-11(16(17,18)19)6-10(22(24)25)7-12(15)23(26)27/h3-8,21H,1-2H3/b20-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization