Molecule ID: mol9728

SMILES: COc1nc(=O)c2c(nnn2C)[nH]1

InChI: InChI=1S/C6H7N5O2/c1-11-3-4(9-10-11)7-6(13-2)8-5(3)12/h1-2H3,(H,7,8,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization