Molecule

ID:99294

General Information
Structure
MolImage
Molecular Formula
C₄H₃Br₂F₃O₂
Molecular Mass
299.8686296
Exact Mass
297.845188
Charge
0
InChI
InChI=1S/C4H3Br2F3O2/c5-3(6,2(10)11)1-4(7,8)9/h1H2,(H,10,11)
InChIKey
QLUGHWWFGTWAGP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CC(F)(F)F)(Br)Br
Isomeric Smiles
OC(=O)C(CC(F)(F)F)(Br)Br
Calculated Properties
JChem
Acid pKa
1.8866007
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.98735183
LogD (pH = 7.4)
-1.2720401
Log P
2.3137572
Molar Refractivity
38.2439
Polarizability
15.03933
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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