Molecule ID: mol37712

SMILES: N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)O

InChI: InChI=1S/C20H34N8O6/c21-12(4-1-7-24-20(22)23)19(34)28-9-3-6-14(28)18(33)25-10-15(29)27-8-2-5-13(27)17(32)26-11-16(30)31/h12-14H,1-11,21H2,(H,25,33)(H,26,32)(H,30,31)(H4,22,23,24)/t12-,13-,14-/m0/s1

Experimental Macro pKa Values

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