Molecule

ID:7459

General Information
Structure
Molecular Formula
C₇H₅BrClF
Molecular Mass
223.4700032
Exact Mass
221.92471806
Charge
0
InChI
InChI=1S/C7H5BrClF/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2
InChIKey
GAUUDQVOPUKGJD-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1Cl)F
Isomeric Smiles
c1c(cc(c(c1)CBr)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4927297
LogD (pH = 7.4)
3.4927297
Log P
3.4927297
Molar Refractivity
43.9296
Polarizability
16.645945
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
No Data Available
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Molecule Details
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References
Bioactivity
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