Molecule

ID:134086

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₄O₃S
Molecular Mass
318.51506
Exact Mass
318.22286595
Charge
0
InChI
InChI=1S/C17H34O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(2,18)19/h8-9H,3-7,10-17H2,1-2H3/b9-8-
InChIKey
SNUPNOSJSJKCJM-HJWRWDBZSA-N
Canonic Smiles
CCCCCC/C=C\CCCCCCCCOS(=O)(=O)C
Isomeric Smiles
CCCCCC/C=C\CCCCCCCCOS(=O)(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.7143884
LogD (pH = 7.4)
5.7143884
Log P
5.7143884
Molar Refractivity
91.216
Polarizability
36.66243
Polar Surface Area
43.37
Rotatable Bonds
15
Lipinski's Rule of Five
false
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
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References
Bioactivity
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