12-hydroxylauric acid

Ligand id: 6922

Name: 12-hydroxylauric acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 57.53
Molecular weight 216.17
XLogP 3.53
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Metabolite or derivative
IUPAC Name
12-Hydroxydodecanoic acid
Database Links
CAS Registry No. 505-95-3 (source: Scifinder)
ChEBI CHEBI:39567
ChEMBL Ligand CHEMBL55068
GtoPdb PubChem SID 178103504
PubChem CID 79034
RCSB PDB Ligand 12H
Search Google for chemical match using the InChIKey ZDHCZVWCTKTBRY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZDHCZVWCTKTBRY
Search UniChem for chemical match using the InChIKey ZDHCZVWCTKTBRY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZDHCZVWCTKTBRY