Molecule

ID:4522

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₀O₆
Molecular Mass
294.3844
Exact Mass
294.20423868
Charge
0
InChI
InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3
InChIKey
IXFAFGFZFQHRLB-UHFFFAOYSA-N
Canonic Smiles
CCOCCOCCOCCOCCOCCOCC
Isomeric Smiles
CCOCCOCCOCCOCCOCCOCC
Calculated Properties
JChem
LogD (pH = 7.4)
0.60
LogD (pH = 5.5)
0.60
Log P
0.60
Rotatable Bonds
17
H Donor
0
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
-3.37
Polar Surface Area
55.38
Polarizability
35.87
Molar Refractivity
77.73
LOG S
-0.35
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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