Molecule

ID:110587

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆O₂S
Molecular Mass
234.39864
Exact Mass
234.16535107
Charge
0
InChI
InChI=1S/C12H26O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey
HBOOMWHZBIPTMN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCS(=O)(=O)CCCCCC
Isomeric Smiles
CCCCCCS(=O)(=O)CCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4294794
LogD (pH = 7.4)
3.4294794
Log P
3.4294794
Molar Refractivity
66.5182
Polarizability
27.002504
Polar Surface Area
34.14
Rotatable Bonds
10
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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