Molecule ID: mol19890

SMILES: COCc1[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)nc1C

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization