Molecule

ID:96955

General Information
Structure
MolImage
Molecular Formula
C₉H₈BrF
Molecular Mass
215.0622232
Exact Mass
213.97934048
Charge
0
InChI
InChI=1S/C9H8BrF/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6H,1,3H2
InChIKey
XDBIAGLJGRJLSO-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccc(c(c1)F)Br
Isomeric Smiles
Fc1c(ccc(c1)CC=C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9832711
LogD (pH = 7.4)
3.9832711
Log P
3.9832711
Molar Refractivity
48.1845
Polarizability
18.090548
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
No Data Available
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Molecule Details
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References
Bioactivity
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