Molecule ID: mol8228

SMILES: Cc1nc2c(=O)n(C)c(O)nc2n(C)c1=O

InChI: InChI=1S/C9H10N4O3/c1-4-7(14)12(2)6-5(10-4)8(15)13(3)9(16)11-6/h1-3H3,(H,11,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization