Molecule

ID:7327

General Information
Structure
Molecular Formula
C₈H₅BrClF₃
Molecular Mass
273.4775096
Exact Mass
271.9215245
Charge
0
InChI
InChI=1S/C8H5BrClF3/c9-4-5-2-1-3-6(7(5)10)8(11,12)13/h1-3H,4H2
InChIKey
ZPHUUSQDKIEPDN-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1Cl)C(F)(F)F
Isomeric Smiles
c1cc(c(c(c1)CBr)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.227876
LogD (pH = 7.4)
4.227876
Log P
4.227876
Molar Refractivity
49.6869
Polarizability
18.354881
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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