Structure Database (LMSD)

Common Name
Docosanamide
Systematic Name
docosanamide
Synonyms
LM ID
LMFA08010020
Status
Active
Exact Mass
Calculate m/z
339.350114
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ORAWFNKFUWGRJG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCCCC)N

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 406.31
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.29
Molar Refractivity 107.21

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Created at
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Updated at
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