Molecule ID: mol19718

SMILES: COc1c(OCC(O)CN2CCCCC2)cc2oc3cc(OCC(O)CN4CCCCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C

InChI: InChI=1S/C40H56N2O8/c1-26(2)12-14-30-32(48-24-28(43)22-41-16-8-6-9-17-41)20-34-37(38(30)45)39(46)36-31(15-13-27(3)4)40(47-5)35(21-33(36)50-34)49-25-29(44)23-42-18-10-7-11-19-42/h12-13,20-21,28-29,43-45H,6-11,14-19,22-25H2,1-5H3

Experimental Macro pKa Values

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