Molecule ID: mol27952

SMILES: CCC/C(=N\c1ccccc1)SCC

InChI: InChI=1S/C12H17NS/c1-3-8-12(14-4-2)13-11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3/b13-12+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization