Molecule ID: mol36934

SMILES: O=C(O)CN(CCCN(CC(=O)O)C[C@@H](CO)N(CC(=O)O)CC(=O)O)CC(=O)O

InChI: InChI=1S/C16H27N3O11/c20-10-11(19(8-15(27)28)9-16(29)30)4-17(5-12(21)22)2-1-3-18(6-13(23)24)7-14(25)26/h11,20H,1-10H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/t11-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.65 QSARToolbox -4 » -5
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Charge States and Microspecies Visualization