Molecule ID: mol12950

SMILES: Cc1nnn(CC(=O)O)n1

InChI: InChI=1S/C4H6N4O2/c1-3-5-7-8(6-3)2-4(9)10/h2H2,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization