acetic acid

Ligand id: 1058

Name: acetic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 60.02
XLogP -0.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
acetic acid
Synonyms
acetate
ethanoic acid
Database Links
BindingDB Ligand 50074329
CAS Registry No. 64-19-7
ChEBI CHEBI:15366
ChEMBL Ligand CHEMBL539
DrugBank Ligand DB03166
Human Metabolome Database HMDB00042
PharmGKB Drug PA448021
PubChem CID 176
RCSB PDB Ligand ACY
Search Google for chemical match using the InChIKey QTBSBXVTEAMEQO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QTBSBXVTEAMEQO
Wikipedia Acetic_acid