Structure Database (LMSD)
Common Name
Lesquerolic acid
Systematic Name
14-hydroxy-11Z-eicosenoic acid
Synonyms
- 14-hydroxy-cis-11-eicosenoic acid
3D model of Lesquerolic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
OONXYOAWMIVMCI-KAMYIIQDSA-N
InChi (Click to copy)
InChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11-
SMILES (Click to copy)
C(/C=C\CC(O)CCCCCC)CCCCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
375.65
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.15
Molar Refractivity
98.22
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Created at
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Updated at
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