Molecule

ID:109318

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈O₂
Molecular Mass
228.37092
Exact Mass
228.20893014
Charge
0
InChI
InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3
InChIKey
PBGWNXWNCSSXCO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)OCCCCCC
Isomeric Smiles
CCCCCCCC(=O)OCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
5.06
LogD (pH = 5.5)
5.06
Log P
5.06
Rotatable Bonds
12
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
29.85
Molar Refractivity
68.12
LOG S
-5.01
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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