Molecule ID: mol20399

SMILES: CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC

InChI: InChI=1S/C22H27N3O3/c1-3-27-21-14-16(8-9-20(21)26-2)15-25-12-10-17(11-13-25)23-22-24-18-6-4-5-7-19(18)28-22/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,23,24)

Experimental Macro pKa Values

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