Molecule ID: mol19894

SMILES: COc1ccc(CCNCC(O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC

InChI: InChI=1S/C24H30BrN3O4/c1-30-21-9-5-18(13-22(21)31-2)11-12-26-14-19(29)16-32-20-7-3-17(4-8-20)6-10-24-27-15-23(25)28-24/h3-5,7-9,13,15,19,26,29H,6,10-12,14,16H2,1-2H3,(H,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization