Molecule ID: mol12401

SMILES: O=C1CCCC(=O)N1

InChI: InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization