Molecule ID: mol21693

SMILES: Oc1cc(O)n2ncc(-c3ccc(Br)cc3)c2n1

InChI: InChI=1S/C12H8BrN3O2/c13-8-3-1-7(2-4-8)9-6-14-16-11(18)5-10(17)15-12(9)16/h1-6,18H,(H,15,17)

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