Molecule

ID:18841

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₄S
Molecular Mass
196.1652728
Exact Mass
195.99698401
Charge
0
InChI
InChI=1S/C7H4F4S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChIKey
BTKQCAUEXFTVNT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)SC(F)(F)F
Isomeric Smiles
S(C(F)(F)F)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.084674
LogD (pH = 7.4)
4.084674
Log P
4.084674
Molar Refractivity
39.2599
Polarizability
14.424683
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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