Molecule
ID:110745
General Information
Molecular Formula
C₉H₂₀S
Molecular Mass
160.3201
Exact Mass
160.12857164
Charge
0
InChI
InChI=1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
InChIKey
AHCJTMBRROLNHV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCSC
Isomeric Smiles
CCCCCCCCSC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2219753
LogD (pH = 7.4)
4.2219753
Log P
4.2219753
Molar Refractivity
51.2185
Polarizability
20.406137
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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