Molecule

ID:2085

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆O₅
Molecular Mass
250.33184
Exact Mass
250.17802393
Charge
0
InChI
InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3
InChIKey
HYDWALOBQJFOMS-UHFFFAOYSA-N
Canonic Smiles
CCOCCOCCOCCOCCOCC
Isomeric Smiles
CCOCCOCCOCCOCCOCC
Calculated Properties
JChem
LogD (pH = 7.4)
0.65
LogD (pH = 5.5)
0.65
Log P
0.65
Rotatable Bonds
14
H Donor
0
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
-3.45
Polar Surface Area
46.15
Polarizability
30.50
Molar Refractivity
66.68
LOG S
-0.33
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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