12-hydroxylauric acid   Click here for help

GtoPdb Ligand ID: 6922

PDB Ligand
Compound class: Metabolite
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OCCCCCCCCCCCC(=O)O
Isomeric SMILES OCCCCCCCCCCCC(=O)O
InChI InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
InChI Key ZDHCZVWCTKTBRY-UHFFFAOYSA-N
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel