Molecule ID: mol20633

SMILES: COc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2cscc2[nH]1

InChI: InChI=1S/C14H12F3N3O3S2/c1-22-12-10(18-3-2-11(12)23-7-14(15,16)17)6-25(21)13-19-8-4-24-5-9(8)20-13/h2-5H,6-7H2,1H3,(H,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.52 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization