Molecule ID: mol19897

SMILES: CCOCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1

InChI: InChI=1S/C25H33N3O5/c1-4-32-16-20-14-27-25(28-20)19-6-8-22(9-7-19)33-17-21(29)15-26-12-11-18-5-10-23(30-2)24(13-18)31-3/h5-10,13-14,21,26,29H,4,11-12,15-17H2,1-3H3,(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.25 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization