Molecule ID: mol32749

SMILES: C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCC)C(CCC(=O)OC)C3C

InChI: InChI=1S/C38H45N5O5/c1-10-23-19(4)27-16-29-21(6)25(13-14-33(44)47-8)36(42-29)26(15-34(45)48-9)37-35(38(46)39-12-3)22(7)30(43-37)18-32-24(11-2)20(5)28(41-32)17-31(23)40-27/h10,16-18,21,25,40,43H,1,11-15H2,2-9H3,(H,39,46)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.70 OCHEM 3 » 2
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Charge States and Microspecies Visualization