Molecule
ID:112824
General Information
Molecular Formula
C₁₀H₁₆
Molecular Mass
136.23404
Exact Mass
136.12520051
Charge
0
InChI
InChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h2,4-7H2,1,3H3
InChIKey
GSFPEKGMYODGNK-UHFFFAOYSA-N
Canonic Smiles
CCCCCC#CC(=C)C
Isomeric Smiles
CCCCCC#CC(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9889238
LogD (pH = 7.4)
3.9889238
Log P
3.9889238
Molar Refractivity
46.8987
Polarizability
17.8771
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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