Molecule

ID:74284

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄S
Molecular Mass
118.24036
Exact Mass
118.08162145
Charge
0
InChI
InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3
InChIKey
ZERULLAPCVRMCO-UHFFFAOYSA-N
Canonic Smiles
CCCSCCC
Isomeric Smiles
S(CCC)CCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7746842
LogD (pH = 7.4)
2.7746842
Log P
2.7746842
Molar Refractivity
37.5353
Polarizability
14.866755
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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