Molecule ID: mol20634

SMILES: [O-][S+](Cc1cc(OCC(F)(F)F)ccn1)c1nc2cscc2[nH]1

InChI: InChI=1S/C13H10F3N3O2S2/c14-13(15,16)7-21-9-1-2-17-8(3-9)6-23(20)12-18-10-4-22-5-11(10)19-12/h1-5H,6-7H2,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization