Molecule
ID:94768
General Information
Molecular Formula
C₃HBr₂F₃
Molecular Mass
253.8432496
Exact Mass
251.83970869
Charge
0
InChI
InChI=1S/C3HBr2F3/c4-1-2(5)3(6,7)8/h1H
InChIKey
DCJYYAUJHDDEAA-UHFFFAOYSA-N
Canonic Smiles
Br/C=C(/C(F)(F)F)\Br
Isomeric Smiles
FC(F)(F)/C(=C/Br)/Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7412474
LogD (pH = 7.4)
2.7412474
Log P
2.7412474
Molar Refractivity
31.7356
Polarizability
12.180946
Polar Surface Area
0.0
Rotatable Bonds
1
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
No Data Available
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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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