Molecule ID: mol19757

SMILES: Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cccc(Br)c2n1CC(=O)O

InChI: InChI=1S/C22H18BrN3O3/c1-14-21(16-8-5-9-17(23)22(16)25(14)13-20(28)29)18-10-11-19(27)26(24-18)12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.98 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization