Molecule

ID:112825

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄
Molecular Mass
122.20746
Exact Mass
122.10955045
Charge
0
InChI
InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h2,4-6H2,1,3H3
InChIKey
FPKTZBDAOSTAHN-UHFFFAOYSA-N
Canonic Smiles
CCCCC#CC(=C)C
Isomeric Smiles
CCCCC#CC(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5443552
LogD (pH = 7.4)
3.5443552
Log P
3.5443552
Molar Refractivity
42.2977
Polarizability
16.03024
Polar Surface Area
0.0
Rotatable Bonds
4
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
References
Bioactivity
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