Molecule

ID:53294

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrF₃S
Molecular Mass
231.0335896
Exact Mass
229.90126772
Charge
0
InChI
InChI=1S/C5H2BrF3S/c6-4-2-1-3(10-4)5(7,8)9/h1-2H
InChIKey
YEOCVAKZWADJPV-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(s1)Br)(F)F
Isomeric Smiles
c1(ccc(s1)C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6987243
LogD (pH = 7.4)
3.6987243
Log P
3.6987243
Molar Refractivity
35.7043
Polarizability
13.695982
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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