Molecule ID: mol3225

SMILES: CCN(CC)C(C)C=C(c1cccs1)c1cccs1

InChI: InChI=1S/C16H21NS2/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16/h6-13H,4-5H2,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.85 IUPAC digitized pKa 1 » 0
8.90 OCHEM 1 » 0
8.90 QSARToolbox 1 » 0
8.90 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization