Molecule ID: mol31405

SMILES: O=C(O)CCCC(=O)NO

InChI: InChI=1S/C5H9NO4/c7-4(6-10)2-1-3-5(8)9/h10H,1-3H2,(H,6,7)(H,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.60 AttenGpKa training set 0 » -1
9.60 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization