Molecule

ID:79483

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈
Molecular Mass
186.29272
Exact Mass
186.14085058
Charge
0
InChI
InChI=1S/C14H18/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h2,9-12H,3,5-8H2,1H3
InChIKey
NFPDFDTYANKKIU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1ccc(cc1)C#C
Isomeric Smiles
C#Cc1ccc(cc1)CCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.860346
LogD (pH = 7.4)
4.860346
Log P
4.860346
Molar Refractivity
59.2765
Polarizability
23.964817
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
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
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References
Bioactivity
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