Molecule ID: mol38033

SMILES: C1CNCCN(Cc2n[nH]c(CN3CCNCCNCC3)n2)CCN1

InChI: InChI=1S/C16H33N9/c1-2-18-6-10-24(9-5-17-1)13-15-21-16(23-22-15)14-25-11-7-19-3-4-20-8-12-25/h17-20H,1-14H2,(H,21,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.90 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization