Molecule ID: mol8821

SMILES: CC(C)[C@@H](N)C(=O)NNC(=O)CNC(=O)OCc1ccccc1

InChI: InChI=1S/C15H22N4O4/c1-10(2)13(16)14(21)19-18-12(20)8-17-15(22)23-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9,16H2,1-2H3,(H,17,22)(H,18,20)(H,19,21)/t13-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.08 IUPAC digitized pKa 1 » 0
9.80 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization