Molecule

ID:132655

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈O₂
Molecular Mass
228.37092
Exact Mass
228.20893014
Charge
0
InChI
InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
InChIKey
YYVJAABUJYRQJO-UHFFFAOYSA-N
Canonic Smiles
CC(CCCCCCCCCCC(=O)O)C
Isomeric Smiles
CC(C)CCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.79
LogD (pH = 5.5)
4.55
Log P
5.21
Rotatable Bonds
11
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
29.84
Molar Refractivity
67.83
LOG S
-5.57
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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