Molecule ID: mol2995

SMILES: O=C(O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12

InChI: InChI=1S/C14H9BrN2O2S2/c15-9-3-1-8(2-4-9)11-5-10-13(21-11)14(17-7-16-10)20-6-12(18)19/h1-5,7H,6H2,(H,18,19)

Experimental Macro pKa Values

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