Molecule

ID:98029

General Information
Structure
MolImage
Molecular Formula
C₉H₉BrF₂
Molecular Mass
235.0685664
Exact Mass
233.98556873
Charge
0
InChI
InChI=1S/C9H9BrF2/c1-6-3-4-7(5-8(6)10)9(2,11)12/h3-5H,1-2H3
InChIKey
ZJKPAVFYMPRJTK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1Br)C(F)(F)C
Isomeric Smiles
FC(c1cc(c(cc1)C)Br)(C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8925705
LogD (pH = 7.4)
3.8925705
Log P
3.8925705
Molar Refractivity
48.8278
Polarizability
18.173649
Polar Surface Area
0.0
Rotatable Bonds
1
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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