Molecule ID: mol3028

SMILES: O=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccco3)[nH]n12

InChI: InChI=1S/C17H11F2N3O2S/c18-11-3-1-5-14(17(11)19)25-9-10-7-16(23)22-15(20-10)8-12(21-22)13-4-2-6-24-13/h1-8,21H,9H2

Experimental Macro pKa Values

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