Molecule ID: mol31395

SMILES: O=C(NO)c1c[nH]cn1

InChI: InChI=1S/C4H5N3O2/c8-4(7-9)3-1-5-2-6-3/h1-2,9H,(H,5,6)(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization