Molecule ID: mol19717

SMILES: COc1c(OCC(O)CN2CCCC2)cc2oc3cc(OCC(O)CN4CCCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C

InChI: InChI=1S/C38H52N2O8/c1-24(2)10-12-28-30(46-22-26(41)20-39-14-6-7-15-39)18-32-35(36(28)43)37(44)34-29(13-11-25(3)4)38(45-5)33(19-31(34)48-32)47-23-27(42)21-40-16-8-9-17-40/h10-11,18-19,26-27,41-43H,6-9,12-17,20-23H2,1-5H3

Experimental Macro pKa Values

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