Molecule

ID:69225

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrF₃O
Molecular Mass
228.9945696
Exact Mass
227.93976141
Charge
0
InChI
InChI=1S/C6H4BrF3O/c7-3-4-1-2-5(11-4)6(8,9)10/h1-2H,3H2
InChIKey
YNHVBNGRNNVEMD-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(o1)C(F)(F)F
Isomeric Smiles
o1c(ccc1C(F)(F)F)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6040795
LogD (pH = 7.4)
2.6040795
Log P
2.6040795
Molar Refractivity
37.1505
Polarizability
13.622711
Polar Surface Area
13.14
Rotatable Bonds
2
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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