Molecule

ID:95032

General Information
Structure
Molecular Formula
C₇H₇FO₂S
Molecular Mass
174.1926832
Exact Mass
174.01507868
Charge
0
InChI
InChI=1S/C7H7FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
DRQGZMZPKOYPKW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(c1c(cccc1)F)C
Calculated Properties
JChem
Acid pKa
19.549904
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9562563
LogD (pH = 7.4)
0.9562563
Log P
0.9562563
Molar Refractivity
40.278
Polarizability
16.046507
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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