Molecule

ID:81134

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈
Molecular Mass
184.36142
Exact Mass
184.2191009
Charge
0
InChI
InChI=1S/C13H28/c1-5-6-7-10-13(4)11-8-9-12(2)3/h12-13H,5-11H2,1-4H3
InChIKey
MFUPKUZLTKVMFM-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(CCCC(C)C)C
Isomeric Smiles
CC(CCCC(CCCCC)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.9280195
LogD (pH = 7.4)
5.9280195
Log P
5.9280195
Molar Refractivity
61.5104
Polarizability
24.757622
Polar Surface Area
0.0
Rotatable Bonds
8
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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