Molecule

ID:112549

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄S
Molecular Mass
118.24036
Exact Mass
118.08162145
Charge
0
InChI
InChI=1S/C6H14S/c1-3-5-6-7-4-2/h3-6H2,1-2H3
InChIKey
XJIRSLHMKBUGMR-UHFFFAOYSA-N
Canonic Smiles
CCCCSCC
Isomeric Smiles
CCCCSCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6967306
LogD (pH = 7.4)
2.6967306
Log P
2.6967306
Molar Refractivity
37.6123
Polarizability
14.866667
Polar Surface Area
0.0
Rotatable Bonds
4
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
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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