Molecule

ID:9645

General Information
Structure
Molecular Formula
C₄H₅Br₂FO₂
Molecular Mass
263.8877032
Exact Mass
261.86403162
Charge
0
InChI
InChI=1S/C4H5Br2FO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey
COYRDMUQLSIAEX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(Br)(Br)F
Isomeric Smiles
O=C(C(Br)(Br)F)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1258037
LogD (pH = 7.4)
2.1258037
Log P
2.1258037
Molar Refractivity
38.4582
Polarizability
15.090859
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
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Molecule Details
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References
Bioactivity
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