Molecule ID: mol8794

SMILES: NC(=O)N/N=C/c1ccco1

InChI: InChI=1S/C6H7N3O2/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.44 IUPAC digitized pKa 1 » 0
1.44 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization