Molecule ID: mol26250

SMILES: CC1=Nc2c(nc[nH]c2=O)N(C)C1(C)O

InChI: InChI=1S/C9H12N4O2/c1-5-9(2,15)13(3)7-6(12-5)8(14)11-4-10-7/h4,15H,1-3H3,(H,10,11,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.46 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization