Molecule ID: mol14137

SMILES: CCn1nnnc1CC(=O)O

InChI: InChI=1S/C5H8N4O2/c1-2-9-4(3-5(10)11)6-7-8-9/h2-3H2,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization