Molecule

ID:106902

General Information
Structure
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Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3
InChIKey
SOGAXMICEFXMKE-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)C(=C)C
Isomeric Smiles
CCCCOC(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6316242
LogD (pH = 7.4)
2.6316242
Log P
2.6316242
Molar Refractivity
40.2912
Polarizability
15.986376
Polar Surface Area
26.3
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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