Molecule

ID:5856

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈O₂
Molecular Mass
228.37092
Exact Mass
228.20893014
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)
InChIKey
TUNFSRHWOTWDNC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCC(=O)O
Isomeric Smiles
C(=O)(O)CCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.95
LogD (pH = 5.5)
4.71
Log P
5.37
Rotatable Bonds
12
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
30.10
Molar Refractivity
67.88
LOG S
-5.63
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
No Data Available
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Molecule Details
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References
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Bioactivity
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