Molecule ID: mol2970

SMILES: Nc1nccc(N2CCc3ccc(Br)cc32)n1

InChI: InChI=1S/C12H11BrN4/c13-9-2-1-8-4-6-17(10(8)7-9)11-3-5-15-12(14)16-11/h1-3,5,7H,4,6H2,(H2,14,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.90 Novartis 1 » 0
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Charge States and Microspecies Visualization