Structure Database (LMSD)

Common Name
Tetranor-5-NO2-CLA
Systematic Name
5-nitro-5Z,7E-tetradecadienoic acid
Synonyms
LM ID
LMFA01120010
Status
Active
Exact Mass
Calculate m/z
269.162709
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)
WBHKJNXCKZWPFQ-AWGJLQHSSA-N
InChi (Click to copy)
InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-10-13(15(18)19)11-9-12-14(16)17/h7-8,10H,2-6,9,11-12H2,1H3,(H,16,17)/b8-7+,13-10+
SMILES (Click to copy)
OC(=O)CCC/C(/[N+]([O-])=O)=C\C=C\CCCCCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 286.36
Topological Polar Surface Area 80.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.93
Molar Refractivity 74.46

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Created at
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Updated at
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