Molecule

ID:8491

General Information
Structure
MolImage
Molecular Formula
C₇H₉BrF₂
Molecular Mass
211.0471664
Exact Mass
209.98556873
Charge
0
InChI
InChI=1S/C7H9BrF2/c8-7(9,10)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKey
PJIZWHYAFYTIMP-UHFFFAOYSA-N
Canonic Smiles
FC(C1=CCCCC1)(Br)F
Isomeric Smiles
C1CCCC=C1C(Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.270338
LogD (pH = 7.4)
3.270338
Log P
3.270338
Molar Refractivity
41.5804
Polarizability
15.15996
Polar Surface Area
0.0
Rotatable Bonds
1
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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