Structure Database (LMSD)

Common Name
10Z,13Z,16Z-nonadecatrienenitrile
Systematic Name
10Z,13Z,16Z-nonadecatrienenitrile
Synonyms
LM ID
LMFA09000001
Status
Active
Exact Mass
Calculate m/z
273.245649
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

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
LBPYBAZSMDVFNV-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C19H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h3-4,6-7,9-10H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(#N)CCCCCCCC/C=C\C/C=C\C/C=C\CC

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 335.06
Topological Polar Surface Area 23.79
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.49
Molar Refractivity 89.49

Admin

Created at
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Updated at
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