Molecule

ID:73706

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆
Molecular Mass
112.21264
Exact Mass
112.12520051
Charge
0
InChI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InChIKey
KWKAKUADMBZCLK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC=C
Isomeric Smiles
C=CCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
3.72
LogD (pH = 5.5)
3.72
Log P
3.72
Rotatable Bonds
5
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
15.48
Molar Refractivity
38.65
LOG S
-3.73
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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