Molecule

ID:112558

General Information
Structure
Molecular Formula
C₁₁H₂₂
Molecular Mass
154.29238
Exact Mass
154.1721507
Charge
0
InChI
InChI=1S/C11H22/c1-4-7-9-11(6-3)10-8-5-2/h4,11H,1,5-10H2,2-3H3
InChIKey
FERQWJMFSVKKGT-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CCC=C)CC
Isomeric Smiles
CCCCC(CC)CCC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.8924437
LogD (pH = 7.4)
4.8924437
Log P
4.8924437
Molar Refractivity
52.4049
Polarizability
20.835823
Polar Surface Area
0.0
Rotatable Bonds
7
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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