Molecule ID: mol18383

SMILES: CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NC1CCOCC1

InChI: InChI=1S/C20H24ClN3O2/c1-13(2)17-11-19(23-16-5-3-4-14(21)10-16)22-12-18(17)20(25)24-15-6-8-26-9-7-15/h3-5,10-13,15H,6-9H2,1-2H3,(H,22,23)(H,24,25)

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