Molecule

ID:11849

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrF₉
Molecular Mass
324.9697088
Exact Mass
323.91961604
Charge
0
InChI
InChI=1S/C6H2BrF9/c1-2(7)3(8,5(11,12)13)4(9,10)6(14,15)16/h1H2
InChIKey
KCLFCDSPXJFUKO-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
C=C(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0996065
LogD (pH = 7.4)
4.0996065
Log P
4.0996065
Molar Refractivity
38.3941
Polarizability
14.588763
Polar Surface Area
0.0
Rotatable Bonds
4
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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