Molecule

ID:112829

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈
Molecular Mass
186.29272
Exact Mass
186.14085058
Charge
0
InChI
InChI=1S/C14H18/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1-2H,5-12H2
InChIKey
ZJHGXKCKUOFPDS-UHFFFAOYSA-N
Canonic Smiles
C#CCCCCC#CCCCCC#C
Isomeric Smiles
C#CCCCCC#CCCCCC#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6580844
LogD (pH = 7.4)
4.6580844
Log P
4.6580844
Molar Refractivity
62.500797
Polarizability
23.274786
Polar Surface Area
0.0
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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