Molecule ID: mol25471

SMILES: COc1ccc(-n2ccc(N)n2)cc1

InChI: InChI=1S/C10H11N3O/c1-14-9-4-2-8(3-5-9)13-7-6-10(11)12-13/h2-7H,1H3,(H2,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization