Molecule ID: mol38589

SMILES: NC(=NCCCC(N)C(=O)O)NC(CC(=O)O)C(=O)O

InChI: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization