Structure Database (LMSD)
Common Name
10-nitro-9E-octadecenoic acid
Systematic Name
10-nitro-9E-octadecenoic acid
Synonyms
3D model of 10-nitro-9E-octadecenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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
Admin
Created at
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Updated at
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