Molecule ID: mol7214

SMILES: CNc1nc(C)c(C(N)=O)c(C)n1

InChI: InChI=1S/C8H12N4O/c1-4-6(7(9)13)5(2)12-8(10-3)11-4/h1-3H3,(H2,9,13)(H,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization