Molecule ID: mol4161

SMILES: CNc1ccn(C)c(=O)n1

InChI: InChI=1S/C6H9N3O/c1-7-5-3-4-9(2)6(10)8-5/h3-4H,1-2H3,(H,7,8,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization