acetaldehyde

Ligand id: 6277

Name: acetaldehyde

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 17.07
Molecular weight 44.03
XLogP 0.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
acetaldehyde
Synonyms
acetic aldehyde | ethanal | ethyl aldehyde | NSC 7594
Database Links
CAS Registry No. 75-07-0 (source: SciFinder)
ChEBI CHEBI:15343
ChEMBL Ligand CHEMBL170365
GtoPdb PubChem SID 178102897
PubChem CID 177
RCSB PDB Ligand ACE
Search Google for chemical match using the InChIKey IKHGUXGNUITLKF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IKHGUXGNUITLKF
Search UniChem for chemical match using the InChIKey IKHGUXGNUITLKF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IKHGUXGNUITLKF
Wikipedia Acetaldehyde