Molecule ID: mol24536

SMILES: SCCN1CCOCC1

InChI: InChI=1S/C6H13NOS/c9-6-3-7-1-4-8-5-2-7/h9H,1-6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization