Molecule ID: mol34535

SMILES: c1ccc(CNCCSSCCNCc2ccccn2)nc1

InChI: InChI=1S/C16H22N4S2/c1-3-7-19-15(5-1)13-17-9-11-21-22-12-10-18-14-16-6-2-4-8-20-16/h1-8,17-18H,9-14H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.87 QSARToolbox 4 » 3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization