Molecule ID: mol20857

SMILES: COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1

InChI: InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)

Experimental Macro pKa Values

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