Molecule ID: mol25589

SMILES: COc1ccc(Nc2[nH]nnc2-c2ccccc2)cc1

InChI: InChI=1S/C15H14N4O/c1-20-13-9-7-12(8-10-13)16-15-14(17-19-18-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization