Molecule ID: mol20004

SMILES: CN1CCN(CCO/N=C2C(=C3/C(=O)Nc4cc(Br)ccc43)/Nc3ccccc3/2)CC1

InChI: InChI=1S/C23H24BrN5O2/c1-28-8-10-29(11-9-28)12-13-31-27-21-17-4-2-3-5-18(17)25-22(21)20-16-7-6-15(24)14-19(16)26-23(20)30/h2-7,14,25H,8-13H2,1H3,(H,26,30)/b22-20-,27-21+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization