Molecule

ID:132842

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₀O₂
Molecular Mass
312.5304
Exact Mass
312.30283052
Charge
0
InChI
InChI=1S/C20H40O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
InChIKey
UCDAVJCKGYOYNI-UHFFFAOYSA-N
Canonic Smiles
CC(CCCCCCCCCCCCCCCCC(=O)O)C
Isomeric Smiles
CC(C)CCCCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
5.46
LogD (pH = 5.5)
7.22
Log P
7.88
Rotatable Bonds
17
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
42.64
Molar Refractivity
95.44
LOG S
-8.60
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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