Molecule ID: mol7215

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

InChI: InChI=1S/C7H10N4O/c1-4-5(6(8)12)3-10-7(9-2)11-4/h3H,1-2H3,(H2,8,12)(H,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization