Molecule

ID:132700

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₀O₂
Molecular Mass
312.5304
Exact Mass
312.30283052
Charge
0
InChI
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3
InChIKey
OIZXRZCQJDXPFO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCOC(=O)C
Isomeric Smiles
CCCCCCCCCCCCCCCCCCOC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.4704084
LogD (pH = 7.4)
7.4704084
Log P
7.4704084
Molar Refractivity
95.7004
Polarizability
38.353783
Polar Surface Area
26.3
Rotatable Bonds
18
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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