Molecule ID: mol17014

SMILES: CN1C=CC(C2NC(C(F)(F)F)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1

InChI: InChI=1S/C16H17F3N4O2S/c1-22-8-6-11(7-9-22)15-21-14(16(17,18)19)10-23(15)12-2-4-13(5-3-12)26(20,24)25/h2-11,15,21H,1H3,(H2,20,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.58 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization