Molecule

ID:99757

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrClF
Molecular Mass
223.4700032
Exact Mass
221.92471806
Charge
0
InChI
InChI=1S/C7H5BrClF/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,1H3
InChIKey
DNHPIRQSZOBOQL-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(cc1C)Br
Isomeric Smiles
Fc1c(cc(c(c1)Cl)Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0021663
LogD (pH = 7.4)
4.0021663
Log P
4.0021663
Molar Refractivity
43.7432
Polarizability
16.676962
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
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Molecule Details
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References
Bioactivity
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