Molecule

ID:132115

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₆O₅
Molecular Mass
390.59764
Exact Mass
390.33452457
Charge
0
InChI
InChI=1S/C22H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-24-17-19-26-21-22-27-20-18-25-16-14-23/h23H,2-22H2,1H3
InChIKey
OARYCGKAYBBHAM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCOCCOCCOCCOCCO
Isomeric Smiles
CCCCCCCCCCCCCCOCCOCCOCCOCCO
Calculated Properties
JChem
Acid pKa
15.121156
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
5.0631065
LogD (pH = 7.4)
5.0631065
Log P
5.0631065
Molar Refractivity
112.3189
Polarizability
44.635956
Polar Surface Area
57.15
Rotatable Bonds
24
Lipinski's Rule of Five
false
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
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References
Bioactivity
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