Molecule ID: mol19882

SMILES: CC(C)NCC(O)COc1ccc(Cc2nc(Br)c[nH]2)cc1

InChI: InChI=1S/C16H22BrN3O2/c1-11(2)18-8-13(21)10-22-14-5-3-12(4-6-14)7-16-19-9-15(17)20-16/h3-6,9,11,13,18,21H,7-8,10H2,1-2H3,(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization