Molecule
ID:108178
General Information
Molecular Formula
C₂₀H₄₀O
Molecular Mass
296.531
Exact Mass
296.3079159
Charge
0
InChI
InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h3-19H2,1-2H3
InChIKey
BWVLRRQCABCGBO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)CC
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.175881
LogD (pH = 7.4)
8.175881
Log P
8.175881
Molar Refractivity
94.4636
Polarizability
37.69629
Polar Surface Area
17.07
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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