Molecule ID: mol12951

SMILES: Cc1nnnn1CC(=O)O

InChI: InChI=1S/C4H6N4O2/c1-3-5-6-7-8(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
2.16 Datawarrior 0 » -1
2.16 AttenGpKa training set 0 » -1
2.16 QSARToolbox 0 » -1
2.16 QSARToolbox 0 » -1
2.16 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization