Molecule ID: mol8818

SMILES: NNC(=O)CNC(=O)CNC(=O)OCc1ccccc1

InChI: InChI=1S/C12H16N4O4/c13-16-11(18)7-14-10(17)6-15-12(19)20-8-9-4-2-1-3-5-9/h1-5H,6-8,13H2,(H,14,17)(H,15,19)(H,16,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.70 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization