Molecule ID: mol7069

SMILES: CN=c1ncc(C=O)c(N)n1C

InChI: InChI=1S/C7H10N4O/c1-9-7-10-3-5(4-12)6(8)11(7)2/h3-4H,8H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization