Molecule

ID:29988

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆BrF
Molecular Mass
225.0570432
Exact Mass
223.96369041
Charge
0
InChI
InChI=1S/C10H6BrF/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6H
InChIKey
CAJAZWLCCNCVEY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)ccc(c2)Br
Isomeric Smiles
c12c(cc(cc2)F)ccc(c1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8741772
LogD (pH = 7.4)
3.8741772
Log P
3.8741772
Molar Refractivity
50.3474
Polarizability
20.19617
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
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References
Bioactivity
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