Molecule

ID:6806

General Information
Structure
MolImage
Molecular Formula
C₄H₃BrClF₃
Molecular Mass
223.4188296
Exact Mass
221.90587444
Charge
0
InChI
InChI=1S/C4H3BrClF3/c1-2-3(6,7)4(5,8)9/h2H,1H2
InChIKey
VULPFOSLGWWARI-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(Br)(F)F)(Cl)F
Isomeric Smiles
C(C(F)(F)Br)(C=C)(Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3490002
LogD (pH = 7.4)
3.3490002
Log P
3.3490002
Molar Refractivity
33.8116
Polarizability
12.602982
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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