Molecule

ID:11858

General Information
Structure
MolImage
Molecular Formula
C₆HBrF₄
Molecular Mass
228.9697528
Exact Mass
227.91977491
Charge
0
InChI
InChI=1S/C6HBrF4/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
BUYSIDPAOVWMQX-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)cc(c(c1F)F)Br
Isomeric Smiles
c1(c(c(c(c(c1)Br)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3128061
LogD (pH = 7.4)
3.3128061
Log P
3.3128061
Molar Refractivity
34.5464
Polarizability
12.862236
Polar Surface Area
0.0
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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