Molecule

ID:6499

General Information
Structure
MolImage
Molecular Formula
C₆HBrF₄
Molecular Mass
228.9697528
Exact Mass
227.91977491
Charge
0
InChI
InChI=1S/C6HBrF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1H
InChIKey
YHAFCGSUIAFUCX-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1F)Br)F
Isomeric Smiles
Fc1c(F)cc(c(c1Br)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
12.870006
Polar Surface Area
0.0
Rotatable Bonds
0
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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