Molecule ID: mol7210

SMILES: Cc1nc(=N)n(C)cc1C(N)=O

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization