Molecule ID: mol34470

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

InChI: InChI=1S/C20H37N5O8/c1-14(2)21-16(26)9-24(12-19(30)31)7-5-23(11-18(28)29)6-8-25(13-20(32)33)10-17(27)22-15(3)4/h14-15H,5-13H2,1-4H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33)

Experimental Macro pKa Values

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