Molecule ID: mol11738

SMILES: CC(=O)NCC(=O)NC(Cc1c[nH]cn1)C(=O)NCC(=O)O

InChI: InChI=1S/C12H17N5O5/c1-7(18)14-4-10(19)17-9(2-8-3-13-6-16-8)12(22)15-5-11(20)21/h3,6,9H,2,4-5H2,1H3,(H,13,16)(H,14,18)(H,15,22)(H,17,19)(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization