Molecule ID: mol8820

SMILES: N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1

InChI: InChI=1S/C19H22N4O4/c20-16(11-14-7-3-1-4-8-14)18(25)23-22-17(24)12-21-19(26)27-13-15-9-5-2-6-10-15/h1-10,16H,11-13,20H2,(H,21,26)(H,22,24)(H,23,25)/t16-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.67 IUPAC digitized pKa 1 » 0
9.70 IUPAC digitized pKa -1 » -2
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Charge States and Microspecies Visualization