Molecule

ID:136136

General Information
Structure
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Molecular Formula
C₁₄H₂₈O₂
Molecular Mass
229.36357484
Exact Mass
229.21228497
Charge
0
InChI
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i14+1
InChIKey
TUNFSRHWOTWDNC-UJKGMGNHSA-N
Canonic Smiles
CCCCCCCCCCCCC[13C](=O)O
Isomeric Smiles
CCCCCCCCCCCCC[13C](=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.71164
LogD (pH = 7.4)
2.9525049
Log P
5.3674455
Molar Refractivity
67.8816
Polarizability
27.025951
Polar Surface Area
37.3
Rotatable Bonds
12
Lipinski's Rule of Five
false
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
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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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