Molecule ID: mol16568

SMILES: CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC

InChI: InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.35 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization