Molecule

ID:8683

General Information
Structure
Molecular Formula
C₄H₂Br₂F₆
Molecular Mass
323.8570992
Exact Mass
321.84274338
Charge
0
InChI
InChI=1S/C4H2Br2F6/c5-1(3(7,8)9)2(6)4(10,11)12/h1-2H
InChIKey
CLDAABVXWZWULA-UHFFFAOYSA-N
Canonic Smiles
BrC(C(F)(F)F)C(C(F)(F)F)Br
Isomeric Smiles
C(C(C(C(F)(F)F)Br)Br)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9012218
LogD (pH = 7.4)
3.9012218
Log P
3.9012218
Molar Refractivity
36.8632
Polarizability
14.441192
Polar Surface Area
0.0
Rotatable Bonds
3
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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