Molecule

ID:6900

General Information
Structure
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Molecular Formula
C₆H₄BrF
Molecular Mass
174.9983632
Exact Mass
173.94804035
Charge
0
InChI
InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey
IPWBFGUBXWMIPR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1Br
Isomeric Smiles
c1ccc(c(c1)Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8847003
LogD (pH = 7.4)
2.8847003
Log P
2.8847003
Molar Refractivity
33.8972
Polarizability
12.950201
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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