Molecule

ID:97054

General Information
Structure
MolImage
Molecular Formula
C₅H₂Br₂F₈O
Molecular Mass
389.8640056
Exact Mass
387.83446444
Charge
0
InChI
InChI=1S/C5H2Br2F8O/c6-3(11,5(13,14)15)4(7,12)16-1-2(8,9)10/h1H2
InChIKey
VUXWJSADJYWRST-UHFFFAOYSA-N
Canonic Smiles
FC(COC(C(C(F)(F)F)(Br)F)(Br)F)(F)F
Isomeric Smiles
O(CC(F)(F)F)C(C(C(F)(F)F)(Br)F)(Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.125681
LogD (pH = 7.4)
4.125681
Log P
4.125681
Molar Refractivity
44.5242
Polarizability
17.212412
Polar Surface Area
9.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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