Molecule

ID:8725

General Information
Structure
MolImage
Molecular Formula
C₄H₆BrFO₂
Molecular Mass
184.9916432
Exact Mass
183.95351965
Charge
0
InChI
InChI=1S/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey
ULNDTPIRBQGESN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(Br)F
Isomeric Smiles
O=C(C(F)Br)OCC
Calculated Properties
JChem
Acid pKa
19.684181
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.82794154
LogD (pH = 7.4)
0.82794154
Log P
0.82794154
Molar Refractivity
30.0353
Polarizability
11.866853
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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