Molecule
ID:93604
General Information
Molecular Formula
C₃HBrF₄O
Molecular Mass
208.9370528
Exact Mass
207.91468953
Charge
0
InChI
InChI=1S/C3HBrF4O/c4-2(9)1(5)3(6,7)8/h1H
InChIKey
ROEJWJRJEMOALT-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)C(=O)Br
Isomeric Smiles
O=C(C(C(F)(F)F)F)Br
Calculated Properties
JChem
Acid pKa
9.461053
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7008855
LogD (pH = 7.4)
1.6971792
Log P
1.700933
Molar Refractivity
24.3066
Polarizability
9.614379
Polar Surface Area
17.07
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
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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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