Molecule ID: mol35137

SMILES: CCC(C)ONC(C)C(=O)O

InChI: InChI=1S/C7H15NO3/c1-4-5(2)11-8-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization