Molecule

ID:99653

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₅O₃S
Molecular Mass
262.153936
Exact Mass
261.97230606
Charge
0
InChI
InChI=1S/C7H3F5O3S/c8-4-1-2-6(5(9)3-4)15-16(13,14)7(10,11)12/h1-3H
InChIKey
HDPFJBUPWOYJFO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)OS(=O)(=O)C(F)(F)F
Isomeric Smiles
Fc1c(ccc(c1)F)OS(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.46936
LogD (pH = 7.4)
3.46936
Log P
3.46936
Molar Refractivity
41.6746
Polarizability
16.595734
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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