Molecule
ID:100376
General Information
Molecular Formula
C₈H₄Br₂F₄
Molecular Mass
335.9189728
Exact Mass
333.86158701
Charge
0
InChI
InChI=1S/C8H4Br2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H
InChIKey
LVNDZUPLJHHVKR-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)C(Br)(F)F)(Br)F
Isomeric Smiles
BrC(c1ccc(cc1)C(F)(F)Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.443062
LogD (pH = 7.4)
4.443062
Log P
4.443062
Molar Refractivity
53.292
Polarizability
19.563715
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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