Molecule
ID:100165
General Information
Molecular Formula
C₄H₅Br₂F₃
Molecular Mass
269.8857096
Exact Mass
267.87100882
Charge
0
InChI
InChI=1S/C4H5Br2F3/c5-2-1-3(7)4(6,8)9/h3H,1-2H2
InChIKey
UNPJUIZHZWFYLY-UHFFFAOYSA-N
Canonic Smiles
BrCCC(C(Br)(F)F)F
Isomeric Smiles
BrCCC(C(F)(F)Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6543822
LogD (pH = 7.4)
2.6543822
Log P
2.6543822
Molar Refractivity
36.525
Polarizability
14.095567
Polar Surface Area
0.0
Rotatable Bonds
3
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
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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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