decanoic acid

Ligand id: 5532

Name: decanoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 37.3
Molecular weight 172.15
XLogP 4.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
Decanoic acid
Synonyms
capric acid
decoic acid
Database Links
CAS Registry No. 334-48-5 (source: Scifinder)
ChEBI CHEBI:30813
ChEMBL Ligand CHEMBL107498
Human Metabolome Database HMDB00511
Lipid Maps LMFA01010010
PubChem CID 2969
RCSB PDB Ligand DKA
Search Google for chemical match using the InChIKey GHVNFZFCNZKVNT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GHVNFZFCNZKVNT
Wikipedia Decanoic_acid