Molecule

ID:73737

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆
Molecular Mass
182.34554
Exact Mass
182.20345083
Charge
0
InChI
InChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h2,4-12H2,1,3H3
InChIKey
PWRBDKMPAZFCSV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC(=C)C
Isomeric Smiles
C=C(CCCCCCCCCC)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.737923
LogD (pH = 7.4)
5.737923
Log P
5.737923
Molar Refractivity
61.3403
Polarizability
24.529404
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
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
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References
Bioactivity
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