Molecule ID: mol4070

SMILES: Cc1cn(C)c(=O)nc1N

InChI: InChI=1S/C6H9N3O/c1-4-3-9(2)6(10)8-5(4)7/h3H,1-2H3,(H2,7,8,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization