Molecule

ID:108293

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈OS
Molecular Mass
162.29292
Exact Mass
162.1078362
Charge
0
InChI
InChI=1S/C8H18OS/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
InChIKey
LOWMYOWHQMKBTM-UHFFFAOYSA-N
Canonic Smiles
CCCCS(=O)CCCC
Isomeric Smiles
CCCCS(=O)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5443108
LogD (pH = 7.4)
1.5443108
Log P
1.5443108
Molar Refractivity
48.417
Polarizability
19.080818
Polar Surface Area
17.07
Rotatable Bonds
6
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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