Molecule

ID:11851

General Information
Structure
MolImage
Molecular Formula
C₄H₃BrF₆
Molecular Mass
244.9610392
Exact Mass
243.93223142
Charge
0
InChI
InChI=1S/C4H3BrF6/c5-1-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKey
BQNGWIBVQDAJNJ-UHFFFAOYSA-N
Canonic Smiles
BrCC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(C(C(F)(F)F)CBr)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8334496
LogD (pH = 7.4)
2.8334496
Log P
2.8334496
Molar Refractivity
29.7534
Polarizability
11.170822
Polar Surface Area
0.0
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
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References
Bioactivity
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