Molecule ID: mol36154

SMILES: O=C(O)CN(CCN(CC(=O)O)[C@H]1CCCC[C@@H]1N(CC(=O)O)CC(=O)O)CC(=O)O

InChI: InChI=1S/C18H29N3O10/c22-14(23)7-19(8-15(24)25)5-6-20(9-16(26)27)12-3-1-2-4-13(12)21(10-17(28)29)11-18(30)31/h12-13H,1-11H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)/t12-,13-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.18 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization