Molecule ID: mol22224

SMILES: NOCCCC(=O)O

InChI: InChI=1S/C4H9NO3/c5-8-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization