Molecule ID: mol9406

SMILES: O/N=C1/CCC/C1=N/O

InChI: InChI=1S/C5H8N2O2/c8-6-4-2-1-3-5(4)7-9/h8-9H,1-3H2/b6-4-,7-5-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.10 IUPAC digitized pKa -1 » -2
10.71 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization