Molecule

ID:22482

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO₃S
Molecular Mass
190.1920832
Exact Mass
190.0099933
Charge
0
InChI
InChI=1S/C7H7FO3S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKey
KWWNBJSKFLDCBH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)S(=O)(=O)C)O
Isomeric Smiles
c1(c(cc(cc1)F)S(=O)(=O)C)O
Calculated Properties
JChem
Acid pKa
7.4668927
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2980694
LogD (pH = 7.4)
1.0370055
Log P
1.302691
Molar Refractivity
42.2589
Polarizability
16.726404
Polar Surface Area
54.37
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
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Molecule Details
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References
Bioactivity
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