Molecule ID: mol19719

SMILES: COc1c(OCC(O)CN2CCNCC2)cc2oc3cc(OCC(O)CN4CCNCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C

InChI: InChI=1S/C38H54N4O8/c1-24(2)6-8-28-30(48-22-26(43)20-41-14-10-39-11-15-41)18-32-35(36(28)45)37(46)34-29(9-7-25(3)4)38(47-5)33(19-31(34)50-32)49-23-27(44)21-42-16-12-40-13-17-42/h6-7,18-19,26-27,39-40,43-45H,8-17,20-23H2,1-5H3

Experimental Macro pKa Values

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