Molecule
ID:69770
General Information
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h5-6H,1-4H2
InChIKey
UMHJEEQLYBKSAN-UHFFFAOYSA-N
Canonic Smiles
O=CCCCCC=O
Isomeric Smiles
C(=O)CCCCC=O
Calculated Properties
JChem
Acid pKa
15.168136
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.17342186
LogD (pH = 7.4)
0.17342184
Log P
0.17342186
Molar Refractivity
30.8882
Polarizability
11.939923
Polar Surface Area
34.14
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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