Molecule

ID:53044

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₂O₂
Molecular Mass
314.54628
Exact Mass
314.31848058
Charge
0
InChI
InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3
InChIKey
ICIDSZQHPUZUHC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCOCCO
Isomeric Smiles
OCCOCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
15.12132
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.982308
LogD (pH = 7.4)
6.982308
Log P
6.982308
Molar Refractivity
97.5924
Polarizability
38.903946
Polar Surface Area
29.46
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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