Molecule ID: mol25601

SMILES: O=[N+]([O-])c1ccc(Nc2[nH]nnc2-c2ccccc2)cc1

InChI: InChI=1S/C14H11N5O2/c20-19(21)12-8-6-11(7-9-12)15-14-13(16-18-17-14)10-4-2-1-3-5-10/h1-9H,(H2,15,16,17,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.60 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization