Molecule

ID:96958

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrF
Molecular Mass
229.0888032
Exact Mass
227.99499054
Charge
0
InChI
InChI=1S/C10H10BrF/c1-7(2)5-8-3-4-9(11)10(12)6-8/h3-4,6H,1,5H2,2H3
InChIKey
IZYIWNVQSRRPNV-UHFFFAOYSA-N
Canonic Smiles
CC(=C)Cc1ccc(c(c1)F)Br
Isomeric Smiles
Fc1c(ccc(c1)CC(=C)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2266326
LogD (pH = 7.4)
4.2266326
Log P
4.2266326
Molar Refractivity
52.4665
Polarizability
19.90378
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
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Molecule Details
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References
Bioactivity
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