Molecule ID: mol33860

SMILES: Cn1c(=O)c2[nH]c(=O)c(=O)[nH]c2n(C)c1=O

InChI: InChI=1S/C8H8N4O4/c1-11-4-3(7(15)12(2)8(11)16)9-5(13)6(14)10-4/h1-2H3,(H,9,13)(H,10,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization