Molecule ID: mol2974

SMILES: O=C(CSc1nccn1C1CCCC1)Nc1ccc(C(F)(F)F)cc1

InChI: InChI=1S/C17H18F3N3OS/c18-17(19,20)12-5-7-13(8-6-12)22-15(24)11-25-16-21-9-10-23(16)14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,22,24)

Experimental Macro pKa Values

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