octanol

Ligand Id: 4278
Ligand name octanol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 20.23
Molecular weight 130.14
XLogP 3.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Metabolite or derivative
IUPAC Name
octan-1-ol
Database Links
CAS Registry No. 29063-28-3 (source: Scifinder)
Human Metabolome Database HMDB01183
PubChem CID 957
Search Google for chemical match using the InChIKey KBPLFHHGFOOTCA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KBPLFHHGFOOTCA
Wikipedia Octanol