Molecule ID: mol16851

SMILES: CN(C)c1cccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)c1

InChI: InChI=1S/C25H28N4O2/c1-29(2)19-6-3-7-20(16-19)31-21-9-10-23-24(11-14-28-25(23)17-21)27-13-5-12-26-18-22-8-4-15-30-22/h3-4,6-11,14-17,26H,5,12-13,18H2,1-2H3,(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.28 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization