Molecule

ID:111831

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₂
Molecular Mass
282.54748
Exact Mass
282.32865134
Charge
0
InChI
InChI=1S/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h20H,4-19H2,1-3H3
InChIKey
NYRRMADCQLTNBX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCC(CC)C
Isomeric Smiles
CCCCCCCCCCCCCCCCC(C)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
9.19755
LogD (pH = 7.4)
9.19755
Log P
9.19755
Molar Refractivity
93.7698
Polarizability
37.686634
Polar Surface Area
0.0
Rotatable Bonds
16
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
References
Bioactivity
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