Molecule

ID:99428

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrF
Molecular Mass
201.0356432
Exact Mass
199.96369041
Charge
0
InChI
InChI=1S/C8H6BrF/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InChIKey
UTDQHQCPWHTKLM-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(cc1F)Br
Isomeric Smiles
Fc1c(ccc(c1)Br)C=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6214025
LogD (pH = 7.4)
3.6214025
Log P
3.6214025
Molar Refractivity
43.5835
Polarizability
16.345425
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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