Molecule ID: mol16857

SMILES: COc1cccc(Oc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)c1

InChI: InChI=1S/C27H27N3O4/c1-31-20-4-2-5-21(15-20)34-22-7-8-23-24(10-13-30-25(23)16-22)29-12-3-11-28-17-19-6-9-26-27(14-19)33-18-32-26/h2,4-10,13-16,28H,3,11-12,17-18H2,1H3,(H,29,30)

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