Molecule
ID:110142
General Information
Molecular Formula
C₁₂H₂₆S
Molecular Mass
202.39984
Exact Mass
202.17552183
Charge
0
InChI
InChI=1S/C12H26S/c1-3-5-6-7-8-9-10-11-12-13-4-2/h3-12H2,1-2H3
InChIKey
VSSRSPLEFYQIEK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCSCC
Isomeric Smiles
CCCCCCCCCCSCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.3641424
LogD (pH = 7.4)
5.3641424
Log P
5.3641424
Molar Refractivity
65.2183
Polarizability
25.947954
Polar Surface Area
0.0
Rotatable Bonds
10
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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