Molecule ID: mol18373

SMILES: CC(C)c1cc(Nc2cccc(Br)c2)ncc1C(=O)NCC1CCOCC1

InChI: InChI=1S/C21H26BrN3O2/c1-14(2)18-11-20(25-17-5-3-4-16(22)10-17)23-13-19(18)21(26)24-12-15-6-8-27-9-7-15/h3-5,10-11,13-15H,6-9,12H2,1-2H3,(H,23,25)(H,24,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization