Molecule

ID:1801

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₃FO₂S
Molecular Mass
308.4954232
Exact Mass
308.21852952
Charge
0
InChI
InChI=1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
InChIKey
QIVFMUVBIHIZAM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCS(=O)(=O)F
Isomeric Smiles
CCCCCCCCCCCCCCCCS(=O)(=O)F
Calculated Properties
JChem
LogD (pH = 7.4)
6.33
LogD (pH = 5.5)
6.33
Log P
6.33
Rotatable Bonds
15
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
false
Polar Surface Area
34.14
Polarizability
38.23
Molar Refractivity
84.68
LOG S
-7.51
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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