Molecule

ID:8720

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrF₂O₂
Molecular Mass
202.9821064
Exact Mass
201.94409784
Charge
0
InChI
InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey
IRSJDVYTJUCXRV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(Br)(F)F
Isomeric Smiles
C(F)(F)(Br)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7687443
LogD (pH = 7.4)
1.7687443
Log P
1.7687443
Molar Refractivity
30.8149
Polarizability
11.921133
Polar Surface Area
26.3
Rotatable Bonds
3
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
References
Bioactivity
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