Molecule ID: mol24325

SMILES: CNCCCCS(=O)(=O)c1ccccc1

InChI: InChI=1S/C11H17NO2S/c1-12-9-5-6-10-15(13,14)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.20 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization