Molecule ID: mol19884

SMILES: CCOC(=O)c1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1

InChI: InChI=1S/C25H31N3O6/c1-4-33-25(30)21-15-27-24(28-21)18-6-8-20(9-7-18)34-16-19(29)14-26-12-11-17-5-10-22(31-2)23(13-17)32-3/h5-10,13,15,19,26,29H,4,11-12,14,16H2,1-3H3,(H,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization