Molecule ID: mol8532

SMILES: O=C(O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)OCc1ccccc1

InChI: InChI=1S/C18H21N5O6/c24-15(8-21-18(28)29-10-12-4-2-1-3-5-12)23-14(6-13-7-19-11-22-13)17(27)20-9-16(25)26/h1-5,7,11,14H,6,8-10H2,(H,19,22)(H,20,27)(H,21,28)(H,23,24)(H,25,26)/t14-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization