Molecule

ID:98164

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₆S
Molecular Mass
222.1513792
Exact Mass
221.99379045
Charge
0
InChI
InChI=1S/C6H4F6S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H
InChIKey
BHSBZHVAWYGOQS-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)S(F)(F)(F)(F)F
Isomeric Smiles
S(c1cc(ccc1)F)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0687
LogD (pH = 7.4)
4.0687
Log P
4.0687
Molar Refractivity
38.953
Polarizability
13.972522
Polar Surface Area
0.0
Rotatable Bonds
1
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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