Molecule ID: mol34602

SMILES: c1ccc(Cn2nc3cc2CNCCNCCNCc2cc(n(Cc4ccccc4)n2)CNCCNCCNC3)cc1

InChI: InChI=1S/C32H46N10/c1-3-7-27(8-4-1)25-41-31-19-29(39-41)21-35-15-11-34-14-18-38-24-32-20-30(22-36-16-12-33-13-17-37-23-31)40-42(32)26-28-9-5-2-6-10-28/h1-10,19-20,33-38H,11-18,21-26H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.90 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization