Molecule

ID:97764

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₈S
Molecular Mass
258.1323056
Exact Mass
257.97494682
Charge
0
InChI
InChI=1S/C6H2F8S/c7-3-1-4(8)6(5(9)2-3)15(10,11,12,13)14/h1-2H
InChIKey
PXWQUZXUFKFHSS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)F)S(F)(F)(F)(F)F
Isomeric Smiles
S(c1c(cc(cc1F)F)F)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3477
LogD (pH = 7.4)
4.3477
Log P
4.3477
Molar Refractivity
39.3858
Polarizability
14.047667
Polar Surface Area
0.0
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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