Molecule

ID:99952

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrF₅S
Molecular Mass
283.056976
Exact Mass
281.91372423
Charge
0
InChI
InChI=1S/C6H4BrF5S/c7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-4H
InChIKey
RECCABBXFXGELM-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)S(F)(F)(F)(F)F
Isomeric Smiles
S(c1ccc(cc1)Br)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.721
LogD (pH = 7.4)
4.721
Log P
4.721
Molar Refractivity
46.3594
Polarizability
17.23114
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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