Molecule

ID:111289

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₂O₃
Molecular Mass
342.55638
Exact Mass
342.3133952
Charge
0
InChI
InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h20,22H,3-19H2,1-2H3
InChIKey
FKOKUHFZNIUSLW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(O)C
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(C)O
Calculated Properties
JChem
Acid pKa
14.828978
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.0180874
LogD (pH = 7.4)
7.0180874
Log P
7.0180874
Molar Refractivity
101.7658
Polarizability
40.796658
Polar Surface Area
46.53
Rotatable Bonds
19
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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