Molecule

ID:95265

General Information
Structure
MolImage
Molecular Formula
C₆H₆FNO₂S
Molecular Mass
175.1807432
Exact Mass
175.01032766
Charge
0
InChI
InChI=1S/C6H6FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
CRINBBOGNYCAOV-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)S(=O)(=O)N
Isomeric Smiles
Fc1cccc(c1)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
9.408053
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.721931
LogD (pH = 7.4)
0.7182221
Log P
0.72197855
Molar Refractivity
38.4323
Polarizability
15.396192
Polar Surface Area
60.16
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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