Molecule ID: mol21692

SMILES: Oc1cc(O)n2ncc(-c3ccccc3)c2n1

InChI: InChI=1S/C12H9N3O2/c16-10-6-11(17)15-12(14-10)9(7-13-15)8-4-2-1-3-5-8/h1-7,17H,(H,14,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.80 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization