Molecule

ID:100166

General Information
Structure
MolImage
Molecular Formula
C₂Br₂F₂O
Molecular Mass
237.8256064
Exact Mass
235.82839506
Charge
0
InChI
InChI=1S/C2Br2F2O/c3-1(7)2(4,5)6
InChIKey
FRTUTWXODRBCOL-UHFFFAOYSA-N
Canonic Smiles
BrC(=O)C(Br)(F)F
Isomeric Smiles
BrC(=O)C(Br)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9494247
LogD (pH = 7.4)
1.9494247
Log P
1.9494247
Molar Refractivity
27.7546
Polarizability
11.014556
Polar Surface Area
17.07
Rotatable Bonds
1
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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