Molecule ID: mol19906

SMILES: COCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1

InChI: InChI=1S/C24H31N3O5/c1-29-15-19-13-26-24(27-19)18-5-7-21(8-6-18)32-16-20(28)14-25-11-10-17-4-9-22(30-2)23(12-17)31-3/h4-9,12-13,20,25,28H,10-11,14-16H2,1-3H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization