Molecule ID: mol7602

SMILES: NNc1nc(=O)c(Cc2ccccc2)n[nH]1

InChI: InChI=1S/C10H11N5O/c11-13-10-12-9(16)8(14-15-10)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,13,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.82 IUPAC digitized pKa 1 » 0
8.80 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization