Molecule ID: mol10146

SMILES: Cn1c(N)nc2[nH]c(=O)cnc2c1=O

InChI: InChI=1S/C7H7N5O2/c1-12-6(14)4-5(11-7(12)8)10-3(13)2-9-4/h2H,1H3,(H3,8,10,11,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization