Molecule ID: mol37046

SMILES: O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C(=O)Nc2ccccc2)c1

InChI: InChI=1S/C21H18N4O3/c26-20(15-24-10-4-6-17(13-24)12-22-28)16-25-11-5-7-18(14-25)21(27)23-19-8-2-1-3-9-19/h1-14H,15-16H2/p+2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.03 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization