Molecule ID: mol25728

SMILES: COc1cc(C)nc(N)n1

InChI: InChI=1S/C6H9N3O/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization