Molecule

ID:93302

General Information
Structure
MolImage
Molecular Formula
C₂BrF₃O
Molecular Mass
176.9200096
Exact Mass
175.90846128
Charge
0
InChI
InChI=1S/C2BrF3O/c3-2(5,6)1(4)7
InChIKey
REOFZGQDJKOKFI-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(Br)(F)F
Isomeric Smiles
FC(=O)C(Br)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5117828
LogD (pH = 7.4)
1.5117828
Log P
1.5117828
Molar Refractivity
20.5207
Polarizability
7.8655763
Polar Surface Area
17.07
Rotatable Bonds
1
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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