Molecule ID: mol34956

SMILES: CC1=Nc2nc(C)c(C)nc2C(O)N1

InChI: InChI=1S/C9H12N4O/c1-4-5(2)11-8-7(10-4)9(14)13-6(3)12-8/h9,14H,1-3H3,(H,11,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.76 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization