Molecule ID: mol8065

SMILES: Cn1c(=O)cnc2c(N)ncnc21

InChI: InChI=1S/C7H7N5O/c1-12-4(13)2-9-5-6(8)10-3-11-7(5)12/h2-3H,1H3,(H2,8,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization