Molecule

ID:112217

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂
Molecular Mass
190.32448
Exact Mass
190.1721507
Charge
0
InChI
InChI=1S/C14H22/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKey
VGQOZYOOFXEGDA-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)CCCC
Isomeric Smiles
CCCCc1ccc(CCCC)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.6675005
LogD (pH = 7.4)
5.6675005
Log P
5.6675005
Molar Refractivity
63.7464
Polarizability
25.004797
Polar Surface Area
0.0
Rotatable Bonds
6
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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