Molecule ID: mol37392

SMILES: CNC(=O)CNC(=O)CNC(=O)C[C@H](NC(=O)CNC(C)=O)C(=O)O

InChI: InChI=1S/C13H21N5O7/c1-7(19)15-6-12(23)18-8(13(24)25)3-9(20)16-5-11(22)17-4-10(21)14-2/h8H,3-6H2,1-2H3,(H,14,21)(H,15,19)(H,16,20)(H,17,22)(H,18,23)(H,24,25)/t8-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.40 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization