Molecule

ID:108503

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂S
Molecular Mass
116.22448
Exact Mass
116.06597138
Charge
0
InChI
InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3
InChIKey
JMLIYQJQKZYHDQ-UHFFFAOYSA-N
Canonic Smiles
CCCSCC=C
Isomeric Smiles
CCCSCC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6266038
LogD (pH = 7.4)
2.6266038
Log P
2.6266038
Molar Refractivity
37.4254
Polarizability
14.636032
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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