Molecule

ID:97435

General Information
Structure
MolImage
Molecular Formula
C₈H₈BrF
Molecular Mass
203.0515232
Exact Mass
201.97934048
Charge
0
InChI
InChI=1S/C8H8BrF/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
InChIKey
GLVSPVSJMYQIPJ-UHFFFAOYSA-N
Canonic Smiles
BrCCc1cccc(c1)F
Isomeric Smiles
Fc1cccc(c1)CCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1773462
LogD (pH = 7.4)
3.1773462
Log P
3.1773462
Molar Refractivity
43.8798
Polarizability
16.374989
Polar Surface Area
0.0
Rotatable Bonds
2
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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