Molecule
ID:94299
General Information
Molecular Formula
C₄H₂BrF₃
Molecular Mass
186.9578896
Exact Mass
185.92919672
Charge
0
InChI
InChI=1S/C4H2BrF3/c1-2(5)3(6)4(7)8/h1H2
InChIKey
IUVSTEPMNJNMCY-UHFFFAOYSA-N
Canonic Smiles
FC(=C(C(=C)Br)F)F
Isomeric Smiles
BrC(=C)C(=C(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.9900659
LogD (pH = 7.4)
1.9900659
Log P
1.9900659
Molar Refractivity
39.086
Polarizability
10.351801
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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