Molecule

ID:32080

General Information
Structure
Molecular Formula
C₈H₆BrF₃
Molecular Mass
239.0324496
Exact Mass
237.96049685
Charge
0
InChI
InChI=1S/C8H6BrF3/c1-8(11,12)6-3-2-5(10)4-7(6)9/h2-4H,1H3
InChIKey
IWWXVLPLYCRPJI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Br)C(F)(F)C
Isomeric Smiles
FC(F)(C)c1c(cc(F)cc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.521851
LogD (pH = 7.4)
3.521851
Log P
3.521851
Molar Refractivity
44.003
Polarizability
16.378593
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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