Molecule ID: mol35714

SMILES: Nc1ncc(Cc2cc3c(cc2Br)OCO3)c(N)n1

InChI: InChI=1S/C12H11BrN4O2/c13-8-3-10-9(18-5-19-10)2-6(8)1-7-4-16-12(15)17-11(7)14/h2-4H,1,5H2,(H4,14,15,16,17)

Experimental Macro pKa Values

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