Molecule ID: mol2968

SMILES: Nc1n[nH]c2cc(Br)ccc12

InChI: InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H3,9,10,11)

Experimental Macro pKa Values

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