Molecule

ID:99388

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrF₂O₂
Molecular Mass
214.9928064
Exact Mass
213.94409784
Charge
0
InChI
InChI=1S/C5H5BrF2O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2
InChIKey
YHYZVEQMOASHNH-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(=O)C(Br)(F)F
Isomeric Smiles
O=C(C(F)(Br)F)OCC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1431863
LogD (pH = 7.4)
2.1431863
Log P
2.1431863
Molar Refractivity
35.229
Polarizability
13.380644
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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