Structure Database (LMSD)
Common Name
10Z,13Z,16Z-nonadecatrienenitrile
Systematic Name
10Z,13Z,16Z-nonadecatrienenitrile
Synonyms
3D model of 10Z,13Z,16Z-nonadecatrienenitrile
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
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
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
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Created at
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Updated at
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