Molecule ID: mol18376

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

InChI: InChI=1S/C22H26N4O2/c1-15(2)19-11-21(26-18-5-3-4-17(10-18)12-23)24-14-20(19)22(27)25-13-16-6-8-28-9-7-16/h3-5,10-11,14-16H,6-9,13H2,1-2H3,(H,24,26)(H,25,27)

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