Molecule

ID:29967

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrClF₃
Molecular Mass
273.4775096
Exact Mass
271.9215245
Charge
0
InChI
InChI=1S/C8H5BrClF3/c9-7-2-1-6(10)3-5(7)4-8(11,12)13/h1-3H,4H2
InChIKey
YRFOLKUXYFOHML-UHFFFAOYSA-N
Canonic Smiles
FC(Cc1cc(Cl)ccc1Br)(F)F
Isomeric Smiles
c1(c(cc(cc1)Cl)CC(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4941945
LogD (pH = 7.4)
4.4941945
Log P
4.4941945
Molar Refractivity
48.9111
Polarizability
18.368357
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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