Structure Database (LMSD)

Common Name
10-nitro-9E-octadecenoic acid
Systematic Name
10-nitro-9E-octadecenoic acid
Synonyms
LM ID
LMFA01120003
Status
Active
Exact Mass
Calculate m/z
327.240959
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)
WRADPCFZZWXOTI-BMRADRMJSA-N
InChi (Click to copy)
InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+
SMILES (Click to copy)
C(CCCCCCC/C=C(/[N+]([O-])=O)\CCCCCCCC)(=O)O

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 358.20
Topological Polar Surface Area 80.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 5.71
Molar Refractivity 93.03

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Created at
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Updated at
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