Molecule

ID:111642

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆
Molecular Mass
170.33484
Exact Mass
170.20345083
Charge
0
InChI
InChI=1S/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey
HTZWVZNRDDOFEI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(CC)C
Isomeric Smiles
CCCCCCCCC(C)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.6410003
LogD (pH = 7.4)
5.6410003
Log P
5.6410003
Molar Refractivity
56.9618
Polarizability
22.910648
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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