Molecule
ID:97614
General Information
Molecular Formula
C₄H₃Br₂F₃O
Molecular Mass
283.8692296
Exact Mass
281.85027338
Charge
0
InChI
InChI=1S/C4H3Br2F3O/c1-3(5,6)2(10)4(7,8)9/h1H3
InChIKey
PGSQEGOEFZQFIB-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Br)(Br)C)C(F)(F)F
Isomeric Smiles
BrC(C(=O)C(F)(F)F)(C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.835869
LogD (pH = 7.4)
2.835869
Log P
2.835869
Molar Refractivity
37.8175
Polarizability
14.391143
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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