Molecule

ID:99276

General Information
Structure
MolImage
Molecular Formula
C₅H₆BrF₃O₂
Molecular Mass
234.9991496
Exact Mass
233.95032609
Charge
0
InChI
InChI=1S/C5H6BrF3O2/c1-3(10)11-2-4(6)5(7,8)9/h4H,2H2,1H3
InChIKey
SOLYBTULJSCJLK-UHFFFAOYSA-N
Canonic Smiles
BrC(C(F)(F)F)COC(=O)C
Isomeric Smiles
O(C(=O)C)CC(C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7873968
LogD (pH = 7.4)
1.7873968
Log P
1.7873968
Molar Refractivity
34.8599
Polarizability
13.6557045
Polar Surface Area
26.3
Rotatable Bonds
4
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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