Molecule
ID:109921
General Information
Molecular Formula
C₁₀H₂₂S₂
Molecular Mass
206.41168
Exact Mass
206.1162927
Charge
0
InChI
InChI=1S/C10H22S2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey
MPYGLNNTOXLWOB-UHFFFAOYSA-N
Canonic Smiles
CC(CCSSCCC(C)C)C
Isomeric Smiles
CC(C)CCSSCCC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5204434
LogD (pH = 7.4)
4.5204434
Log P
4.5204434
Molar Refractivity
63.936
Polarizability
25.344402
Polar Surface Area
0.0
Rotatable Bonds
7
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
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Molecule Details
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References
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Bioactivity
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