Molecule ID: mol34661

SMILES: c1cc2nc(c1)CNCCSCCNCc1cccc(n1)CNCCSCCNC2

InChI: InChI=1S/C22H34N6S2/c1-3-19-15-23-7-11-29-13-9-25-17-21-5-2-6-22(28-21)18-26-10-14-30-12-8-24-16-20(4-1)27-19/h1-6,23-26H,7-18H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.43 QSARToolbox 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization