Molecule ID: mol24535

SMILES: SCCN1CCCCC1

InChI: InChI=1S/C7H15NS/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization