Molecule ID: mol18630

SMILES: COc1c(OCCCCN2CCCCC2)cc2oc3cc(OCCCCN4CCCCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C

InChI: InChI=1S/C42H60N2O6/c1-30(2)16-18-32-34(48-26-14-12-24-43-20-8-6-9-21-43)28-36-39(40(32)45)41(46)38-33(19-17-31(3)4)42(47-5)37(29-35(38)50-36)49-27-15-13-25-44-22-10-7-11-23-44/h16-17,28-29,45H,6-15,18-27H2,1-5H3

Experimental Macro pKa Values

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