Molecule ID: mol22385

SMILES: C/C(=N\O)C(=O)N[C@@H](C)C(=O)O

InChI: InChI=1S/C6H10N2O4/c1-3(8-12)5(9)7-4(2)6(10)11/h4,12H,1-2H3,(H,7,9)(H,10,11)/b8-3+/t4-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.54 AttenGpKa training set 0 » -1
10.17 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization