Molecule ID: mol14788

SMILES: C[C@H]1O[C@H](O[C@H]2CC[C@H](n3ccc(N)nc3=O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]1N(C)C

InChI: InChI=1S/C18H30N4O6/c1-9-11(5-6-13(26-9)22-8-7-12(19)20-18(22)25)28-17-16(24)15(23)14(21(3)4)10(2)27-17/h7-11,13-17,23-24H,5-6H2,1-4H3,(H2,19,20,25)/t9-,10-,11+,13-,14-,15+,16-,17-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
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Charge States and Microspecies Visualization