Molecule ID: mol9173

SMILES: O=C1CCC(=O)N1O

InChI: InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization