Molecule

ID:22193

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrF₂
Molecular Mass
221.0419864
Exact Mass
219.96991866
Charge
0
InChI
InChI=1S/C8H7BrF2/c9-6-8(10,11)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
MOAOYTRHHQMNAF-UHFFFAOYSA-N
Canonic Smiles
BrCC(c1ccccc1)(F)F
Isomeric Smiles
c1cccc(c1)C(CBr)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.446626
LogD (pH = 7.4)
3.446626
Log P
3.446626
Molar Refractivity
43.5764
Polarizability
16.371098
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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