Molecule ID: mol9163

SMILES: COc1nc[nH]c(=O)n1

InChI: InChI=1S/C4H5N3O2/c1-9-4-6-2-5-3(8)7-4/h2H,1H3,(H,5,6,7,8)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.92 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization