Molecule ID: mol35204

SMILES: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CNC(=O)C(CCCNCCCN)NCCCN

InChI: InChI=1S/C49H102N6O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44-55(45-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48(56)46-54-49(57)47(53-43-37-40-51)38-35-41-52-42-36-39-50/h47,52-53H,3-46,50-51H2,1-2H3,(H,54,57)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization