Molecule

ID:135958

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₀O₂
Molecular Mass
312.5304
Exact Mass
312.30283052
Charge
0
InChI
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
InChIKey
VKOBVWXKNCXXDE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.379052
LogD (pH = 7.4)
5.619917
Log P
8.034858
Molar Refractivity
95.4876
Polarizability
38.092808
Polar Surface Area
37.3
Rotatable Bonds
18
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
References
Bioactivity
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