Molecule ID: mol31530

SMILES: O/N=C1\CCC/C(=N\O)N1

InChI: InChI=1S/C5H9N3O2/c9-7-4-2-1-3-5(6-4)8-10/h9-10H,1-3H2,(H,6,7,8)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.12 AttenGpKa training set 2 » 1
10.70 AttenGpKa training set -1 » -2
12.06 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization