Molecule ID: mol7066

SMILES: CNc1ncc(NC=O)c(N)n1

InChI: InChI=1S/C6H9N5O/c1-8-6-9-2-4(10-3-12)5(7)11-6/h2-3H,1H3,(H,10,12)(H3,7,8,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization