Molecule ID: mol36402

SMILES: CN(C)c1ccc(N=Nc2cccc(/C=C/C(=O)O)c2)cc1

InChI: InChI=1S/C17H17N3O2/c1-20(2)16-9-7-14(8-10-16)18-19-15-5-3-4-13(12-15)6-11-17(21)22/h3-12H,1-2H3,(H,21,22)/b11-6+,19-18?

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization