Molecule

ID:6500

General Information
Structure
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Molecular Formula
C₆H₂BrF₃
Molecular Mass
210.9792896
Exact Mass
209.92919672
Charge
0
InChI
InChI=1S/C6H2BrF3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
InChIKey
XSMLLZPSNLQCQU-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)Br)F
Isomeric Smiles
c1(Br)c(F)c(F)cc(F)c1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1701043
LogD (pH = 7.4)
3.1701043
Log P
3.1701043
Molar Refractivity
34.33
Polarizability
12.848192
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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