Molecule

ID:100324

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrClF₂
Molecular Mass
227.4338864
Exact Mass
225.89964618
Charge
0
InChI
InChI=1S/C6H2BrClF2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H
InChIKey
SWELJVAWQMCJLG-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(F)c(c(c1)F)Cl
Isomeric Smiles
Fc1c(c(cc(c1)Br)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.631447
LogD (pH = 7.4)
3.631447
Log P
3.631447
Molar Refractivity
38.9184
Polarizability
14.927809
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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