Molecule

ID:99977

General Information
Structure
MolImage
Molecular Formula
C₈H₈BrF
Molecular Mass
203.0515232
Exact Mass
201.97934048
Charge
0
InChI
InChI=1S/C8H8BrF/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
InChIKey
SIZYXYRNXJSAON-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(C)c(c(c1)C)Br
Isomeric Smiles
Brc1c(cc(cc1C)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9115431
LogD (pH = 7.4)
3.9115431
Log P
3.9115431
Molar Refractivity
43.9796
Polarizability
16.398878
Polar Surface Area
0.0
Rotatable Bonds
0
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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