Molecule ID: mol12490

SMILES: CCNC(C)C(=O)O

InChI: InChI=1S/C5H11NO2/c1-3-6-4(2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization