Molecule ID: mol16729

SMILES: CCOC(=O)COC(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12

InChI: InChI=1S/C20H27N3O5/c1-4-27-18(24)13-28-20(25)22-10-5-7-14(2)23-17-12-16(26-3)11-15-8-6-9-21-19(15)17/h6,8-9,11-12,14,23H,4-5,7,10,13H2,1-3H3,(H,22,25)

Experimental Macro pKa Values

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