Molecule ID: mol12660

SMILES: N#CC(C(=O)O)C1CCCCC1

InChI: InChI=1S/C9H13NO2/c10-6-8(9(11)12)7-4-2-1-3-5-7/h7-8H,1-5H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization