Molecule

ID:79482

General Information
Structure
Molecular Formula
C₁₅H₂₀
Molecular Mass
200.3193
Exact Mass
200.15650064
Charge
0
InChI
InChI=1S/C15H20/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15/h2,10-13H,3,5-9H2,1H3
InChIKey
CFWOIXKFXVUJPA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCc1ccc(cc1)C#C
Isomeric Smiles
C#Cc1ccc(cc1)CCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.3049145
LogD (pH = 7.4)
5.3049145
Log P
5.3049145
Molar Refractivity
63.8775
Polarizability
25.811728
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
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References
Bioactivity
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