Molecule

ID:98661

General Information
Structure
MolImage
Molecular Formula
C₈H₈BrF
Molecular Mass
203.0515232
Exact Mass
201.97934048
Charge
0
InChI
InChI=1S/C8H8BrF/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,5H2,1H3
InChIKey
SSDOQXRIONFILC-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1F)C
Isomeric Smiles
BrCc1c(cc(cc1)C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4021065
LogD (pH = 7.4)
3.4021065
Log P
3.4021065
Molar Refractivity
44.166
Polarizability
16.374676
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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