Molecule ID: mol19461

SMILES: CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1Cl

InChI: InChI=1S/C21H26ClN3O2/c1-3-27-20-11-16(4-5-19(20)22)14-25-8-6-18(7-9-25)24-21(26)17-10-15(2)12-23-13-17/h4-5,10-13,18H,3,6-9,14H2,1-2H3,(H,24,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.63 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization