Molecule ID: mol31535

SMILES: C/C(=N\O)C(=O)NCCN

InChI: InChI=1S/C5H11N3O2/c1-4(8-10)5(9)7-3-2-6/h10H,2-3,6H2,1H3,(H,7,9)/b8-4+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization