Molecule ID: mol26293

SMILES: Cn1c(=O)c2nc(C(=O)O)cnc2n(C)c1=O

InChI: InChI=1S/C9H8N4O4/c1-12-6-5(7(14)13(2)9(12)17)11-4(3-10-6)8(15)16/h3H,1-2H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization