Molecule ID: mol16732

SMILES: COc1cc(NC(C)CCCNC(=O)Oc2ccccc2)c2ncccc2c1

InChI: InChI=1S/C22H25N3O3/c1-16(8-6-13-24-22(26)28-18-10-4-3-5-11-18)25-20-15-19(27-2)14-17-9-7-12-23-21(17)20/h3-5,7,9-12,14-16,25H,6,8,13H2,1-2H3,(H,24,26)

Experimental Macro pKa Values

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