Molecule
ID:107503
General Information
Molecular Formula
C₁₂H₂₆OS
Molecular Mass
218.39924
Exact Mass
218.17043645
Charge
0
InChI
InChI=1S/C12H26OS/c1-3-5-7-9-11-14(13)12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey
DLEXINLCPPEMMI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCS(=O)CCCCCC
Isomeric Smiles
CCCCCCS(=O)CCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3225856
LogD (pH = 7.4)
3.3225856
Log P
3.3225856
Molar Refractivity
66.821
Polarizability
26.45949
Polar Surface Area
17.07
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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