Molecule

ID:8965

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrF₂
Molecular Mass
221.0419864
Exact Mass
219.96991866
Charge
0
InChI
InChI=1S/C8H7BrF2/c1-5-2-3-7(10)6(4-9)8(5)11/h2-3H,4H2,1H3
InChIKey
IHFNXAURNLUMOH-UHFFFAOYSA-N
Canonic Smiles
BrCc1c(F)ccc(c1F)C
Isomeric Smiles
c1cc(c(c(c1F)CBr)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5448084
LogD (pH = 7.4)
3.5448084
Log P
3.5448084
Molar Refractivity
44.3824
Polarizability
16.254963
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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