Molecule ID: mol7655

SMILES: Cn1cc(C=O)nn1

InChI: InChI=1S/C4H5N3O/c1-7-2-4(3-8)5-6-7/h2-3H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.59 IUPAC digitized pKa 1 » 0
-0.58 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization