Molecule

ID:11848

General Information
Structure
MolImage
Molecular Formula
C₄HBrF₆
Molecular Mass
242.9451592
Exact Mass
241.91658135
Charge
0
InChI
InChI=1S/C4HBrF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1-
InChIKey
KSWYRKGFPCBMHX-UPHRSURJSA-N
Canonic Smiles
Br/C(=C\C(F)(F)F)/C(F)(F)F
Isomeric Smiles
C(/C(=C/C(F)(F)F)/Br)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.010404
LogD (pH = 7.4)
3.010404
Log P
3.010404
Molar Refractivity
30.722
Polarizability
10.934128
Polar Surface Area
0.0
Rotatable Bonds
2
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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