Molecule ID: mol19558

SMILES: CC(C)CC1=NS(=O)(=O)c2cc(Cl)ccc2N1

InChI: InChI=1S/C11H13ClN2O2S/c1-7(2)5-11-13-9-4-3-8(12)6-10(9)17(15,16)14-11/h3-4,6-7H,5H2,1-2H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization