stearic acid

Ligand id: 3377

Name: stearic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 16
Topological polar surface area 37.3
Molecular weight 284.27
XLogP 8.71
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
octadecanoic acid
Synonyms
C18:0
Database Links
CAS Registry No. 57-11-4 (source: Scifinder)
ChEBI CHEBI:28842
ChEMBL Ligand CHEMBL46403
DrugBank Ligand DB03193
PubChem CID 5281
RCSB PDB Ligand STE
Search Google for chemical match using the InChIKey QIQXTHQIDYTFRH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QIQXTHQIDYTFRH
Search UniChem for chemical match using the InChIKey QIQXTHQIDYTFRH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QIQXTHQIDYTFRH
Wikipedia Stearic_acid