Molecule ID: mol19887

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3nc(Cl)c[nH]3)cc2)cc1OC

InChI: InChI=1S/C22H26ClN3O4/c1-28-19-8-3-15(11-20(19)29-2)9-10-24-12-17(27)14-30-18-6-4-16(5-7-18)22-25-13-21(23)26-22/h3-8,11,13,17,24,27H,9-10,12,14H2,1-2H3,(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization