Molecule

ID:50855

General Information
Structure
Molecular Formula
C₇H₆BrF
Molecular Mass
189.0249432
Exact Mass
187.96369041
Charge
0
InChI
InChI=1S/C7H6BrF/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChIKey
CTNFNUQREIIROB-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(F)cc(c1)Br
Isomeric Smiles
c1(cc(cc(c1)F)Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3981218
LogD (pH = 7.4)
3.3981218
Log P
3.3981218
Molar Refractivity
38.9384
Polarizability
14.666773
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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