Molecule ID: mol13089

SMILES: Nc1nnnn1CC(=O)O

InChI: InChI=1S/C3H5N5O2/c4-3-5-6-7-8(3)1-2(9)10/h1H2,(H,9,10)(H2,4,5,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization