Molecule

ID:22298

General Information
Structure
MolImage
Molecular Formula
C₄H₆BrFO₂
Molecular Mass
184.9916432
Exact Mass
183.95351965
Charge
0
InChI
InChI=1S/C4H6BrFO2/c1-8-4(7)3(5)2-6/h3H,2H2,1H3
InChIKey
BXTYDNLOFHBZFS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(CF)Br
Isomeric Smiles
C(=O)(C(CF)Br)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0583335
LogD (pH = 7.4)
1.0583335
Log P
1.0583335
Molar Refractivity
29.495
Polarizability
11.850917
Polar Surface Area
26.3
Rotatable Bonds
3
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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