Structure Database (LMSD)
Common Name
Dinor-7-NO2-CLA
Systematic Name
7-nitro-7Z,9E-hexadecadienoic acid
Synonyms
3D model of Dinor-7-NO2-CLA
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)
LQLPBMSWEIRISV-KDFHGORWSA-N
InChi (Click to copy)
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-9-12-15(17(20)21)13-10-8-11-14-16(18)19/h7,9,12H,2-6,8,10-11,13-14H2,1H3,(H,18,19)/b9-7+,15-12+
SMILES (Click to copy)
C(O)(=O)CCCCC/C(/[N+](=O)[O-])=C\C=C\CCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
320.96
Topological Polar Surface Area
80.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
4.71
Molar Refractivity
83.70
Admin
Created at
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Updated at
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