Molecule
ID:81124
General Information
Molecular Formula
C₁₃H₂₈
Molecular Mass
184.36142
Exact Mass
184.2191009
Charge
0
InChI
InChI=1S/C13H28/c1-6-7-8-9-10-11-12(2)13(3,4)5/h12H,6-11H2,1-5H3
InChIKey
BWEUYKNMLNSHIJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(C(C)(C)C)C
Isomeric Smiles
CC(C(CCCCCCC)C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.783498
LogD (pH = 7.4)
5.783498
Log P
5.783498
Molar Refractivity
61.3845
Polarizability
24.757622
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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