Molecule

ID:94063

General Information
Structure
MolImage
Molecular Formula
C₆H₅FO₂S
Molecular Mass
160.1661032
Exact Mass
159.99942862
Charge
0
InChI
InChI=1S/C6H5FO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKey
IDIPWEYIBKUDNY-UHFFFAOYSA-N
Canonic Smiles
FS(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6319596
LogD (pH = 7.4)
1.6319596
Log P
1.6319596
Molar Refractivity
35.6172
Polarizability
14.26717
Polar Surface Area
34.14
Rotatable Bonds
1
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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