Molecule
ID:111754
General Information
Molecular Formula
C₂₀H₄₂OS
Molecular Mass
330.61188
Exact Mass
330.29563696
Charge
0
InChI
InChI=1S/C20H42OS/c1-3-5-7-9-11-13-15-17-19-22(21)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey
WXMZAPNGBZURBO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCS(=O)CCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCS(=O)CCCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.8791347
LogD (pH = 7.4)
6.8791347
Log P
6.8791347
Molar Refractivity
103.629
Polarizability
41.22664
Polar Surface Area
17.07
Rotatable Bonds
18
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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