Molecule ID: mol34534

SMILES: c1nc(CNCCSSCCNCc2c[nH]cn2)c[nH]1

InChI: InChI=1S/C12H20N6S2/c1(13-5-11-7-15-9-17-11)3-19-20-4-2-14-6-12-8-16-10-18-12/h7-10,13-14H,1-6H2,(H,15,17)(H,16,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.89 QSARToolbox 4 » 3
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Charge States and Microspecies Visualization