Molecule

ID:6638

General Information
Structure
MolImage
Molecular Formula
C₄HBrF₆
Molecular Mass
242.9451592
Exact Mass
241.91658135
Charge
0
InChI
InChI=1S/C4HBrF6/c5-1-2(3(6,7)8)4(9,10)11/h1H
InChIKey
YPKJLUMZCXWKMY-UHFFFAOYSA-N
Canonic Smiles
BrC=C(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(=CBr)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9475648
LogD (pH = 7.4)
2.9475648
Log P
2.9475648
Molar Refractivity
29.4159
Polarizability
10.929692
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
No Data Available
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Molecule Details
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References
Bioactivity
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