Molecule

ID:50865

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrF₂
Molecular Mass
221.0419864
Exact Mass
219.96991866
Charge
0
InChI
InChI=1S/C8H7BrF2/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey
QXIBKCFAFRHORF-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)Br)(F)F
Isomeric Smiles
c1(ccc(cc1)C(C)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3791492
LogD (pH = 7.4)
3.3791492
Log P
3.3791492
Molar Refractivity
43.7866
Polarizability
16.453297
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
References
Bioactivity
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