Molecule ID: mol36434

SMILES: CN(CCN(C)CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

InChI: InChI=1S/C16H30N4O8/c1-17(5-7-19(9-13(21)22)10-14(23)24)3-4-18(2)6-8-20(11-15(25)26)12-16(27)28/h3-12H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.05 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization